Thioethers

Organosulfur compounds that contain a carbon atom bonded to a sulfur atom that is bonded to a carbon atom in the following structure: C-S-C. Thioethers are considered the sulfur analog of the ether functional group.

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n-Butyl sulfide, 99%, pure

CAS: 544-40-1 Molecular Formula: C8H18S Molecular Weight (g/mol): 146.29 MDL Number: MFCD00009468 InChI Key: HTIRHQRTDBPHNZ-UHFFFAOYSA-N Synonym: dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide PubChem CID: 11002 SMILES: CCCCSCCCC

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PubChem CID	11002
CAS	544-40-1
Molecular Weight (g/mol)	146.29
MDL Number	MFCD00009468
SMILES	CCCCSCCCC
Synonym	dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide
InChI Key	HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Molecular Formula	C8H18S

Phenyl sulfide, 99%

CAS: 139-66-2 Molecular Formula: C12H10S Molecular Weight (g/mol): 186.27 MDL Number: MFCD00003064 InChI Key: LTYMSROWYAPPGB-UHFFFAOYSA-N Synonym: diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl PubChem CID: 8766 ChEBI: CHEBI:38959 IUPAC Name: phenylsulfanylbenzene SMILES: S(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	8766
CAS	139-66-2
Molecular Weight (g/mol)	186.27
ChEBI	CHEBI:38959
MDL Number	MFCD00003064
SMILES	S(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl
IUPAC Name	phenylsulfanylbenzene
InChI Key	LTYMSROWYAPPGB-UHFFFAOYSA-N
Molecular Formula	C12H10S

Cyclohexyl methyl sulfide, 97%

CAS: 7133-37-1 Molecular Formula: C7H14S Molecular Weight (g/mol): 130.25 MDL Number: MFCD00039460 InChI Key: QQBIOCGHCKNYGP-UHFFFAOYSA-N Synonym: cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane PubChem CID: 81553 SMILES: CSC1CCCCC1

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PubChem CID	81553
CAS	7133-37-1
Molecular Weight (g/mol)	130.25
MDL Number	MFCD00039460
SMILES	CSC1CCCCC1
Synonym	cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane
InChI Key	QQBIOCGHCKNYGP-UHFFFAOYSA-N
Molecular Formula	C7H14S

Epithiochlorohydrine, 97%

CAS: 3221-15-6 Molecular Formula: C₃H₅ClS Molecular Weight (g/mol): 108.59 MDL Number: MFCD00041199 InChI Key: XRWMHJJHPQTTLQ-UHFFFAOYSA-N Synonym: 2-chloromethyl thiirane,thioepichlorohydrin,epithiochlorohydrin,thioepichlorhydrin,chloropropylene sulfide,chloromethyl thiirane,3-chloropropylene sulfide,2-thiiranylmethyl chloride,thiirane, chloromethyl,chloropropylene sulphide PubChem CID: 18588 IUPAC Name: 2-(chloromethyl)thiirane SMILES: C1C(S1)CCl

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PubChem CID	18588
CAS	3221-15-6
Molecular Weight (g/mol)	108.59
MDL Number	MFCD00041199
SMILES	C1C(S1)CCl
Synonym	2-chloromethyl thiirane,thioepichlorohydrin,epithiochlorohydrin,thioepichlorhydrin,chloropropylene sulfide,chloromethyl thiirane,3-chloropropylene sulfide,2-thiiranylmethyl chloride,thiirane, chloromethyl,chloropropylene sulphide
IUPAC Name	2-(chloromethyl)thiirane
InChI Key	XRWMHJJHPQTTLQ-UHFFFAOYSA-N
Molecular Formula	C₃H₅ClS

PubChem CID	11002
CAS	544-40-1
Molecular Weight (g/mol)	146.29
MDL Number	MFCD00009468
SMILES	CCCCSCCCC
Synonym	dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide
IUPAC Name	1-butylsulfanylbutane
InChI Key	HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Molecular Formula	C8H18S

Bis(methylthio)methane, 99%

CAS: 1618-26-4 Molecular Formula: C3H8S2 Molecular Weight (g/mol): 108.217 MDL Number: MFCD00008564 InChI Key: LOCDPORVFVOGCR-UHFFFAOYSA-N Synonym: bis methylthio methane,bis methylsulfanyl methane,2,4-dithiapentane,methane, bis methylthio,bis methylmercapto methane,formaldehyde dimethyl mercaptal,methylenebis methyl sulfide,thioformaldehyde dimethylacetal,ch3sch2sch3 PubChem CID: 15380 IUPAC Name: bis(methylsulfanyl)methane SMILES: CSCSC

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PubChem CID	15380
CAS	1618-26-4
Molecular Weight (g/mol)	108.217
MDL Number	MFCD00008564
SMILES	CSCSC
Synonym	bis methylthio methane,bis methylsulfanyl methane,2,4-dithiapentane,methane, bis methylthio,bis methylmercapto methane,formaldehyde dimethyl mercaptal,methylenebis methyl sulfide,thioformaldehyde dimethylacetal,ch3sch2sch3
IUPAC Name	bis(methylsulfanyl)methane
InChI Key	LOCDPORVFVOGCR-UHFFFAOYSA-N
Molecular Formula	C3H8S2

Dimethyl sulfide, 99+%

CAS: 75-18-3 Molecular Formula: C2H6S Molecular Weight (g/mol): 62.13 MDL Number: MFCD00008562 InChI Key: QMMFVYPAHWMCMS-UHFFFAOYSA-N Synonym: dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane PubChem CID: 1068 ChEBI: CHEBI:17437 SMILES: CSC

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PubChem CID	1068
CAS	75-18-3
Molecular Weight (g/mol)	62.13
ChEBI	CHEBI:17437
MDL Number	MFCD00008562
SMILES	CSC
Synonym	dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane
InChI Key	QMMFVYPAHWMCMS-UHFFFAOYSA-N
Molecular Formula	C2H6S

tert-Butyl methyl sulfide, 98+%

CAS: 6163-64-0 Molecular Formula: C5H12S Molecular Weight (g/mol): 104.21 MDL Number: MFCD00008840 InChI Key: CJFVCTVYZFTORU-UHFFFAOYSA-N Synonym: tert-butyl methyl sulfide,propane, 2-methyl-2-methylthio,sulfide, tert-butyl methyl,methyl tert-butyl sulfide,3,3-dimethyl-2-thiabutane,2-methyl-2-methylsulfanyl propane,t-butyl methyl sulfide,methyl t-butyl sulfide,tert-butyl methyl sulfane,acmc-1b7tx PubChem CID: 138679 IUPAC Name: 2-methyl-2-methylsulfanylpropane SMILES: CSC(C)(C)C

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PubChem CID	138679
CAS	6163-64-0
Molecular Weight (g/mol)	104.21
MDL Number	MFCD00008840
SMILES	CSC(C)(C)C
Synonym	tert-butyl methyl sulfide,propane, 2-methyl-2-methylthio,sulfide, tert-butyl methyl,methyl tert-butyl sulfide,3,3-dimethyl-2-thiabutane,2-methyl-2-methylsulfanyl propane,t-butyl methyl sulfide,methyl t-butyl sulfide,tert-butyl methyl sulfane,acmc-1b7tx
IUPAC Name	2-methyl-2-methylsulfanylpropane
InChI Key	CJFVCTVYZFTORU-UHFFFAOYSA-N
Molecular Formula	C5H12S

Methyl sulfide, 99+%, extra pure

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PubChem CID	1068
CAS	75-18-3
Molecular Weight (g/mol)	62.13
ChEBI	CHEBI:17437
MDL Number	MFCD00008562
SMILES	CSC
Synonym	dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane
IUPAC Name	methylsulfanylmethane
InChI Key	QMMFVYPAHWMCMS-UHFFFAOYSA-N
Molecular Formula	C2H6S

3,3'-Thiodipropionic acid, 99%

CAS: 111-17-1 Molecular Formula: C₆H₁₀O₄S Molecular Weight (g/mol): 178.2 MDL Number: MFCD00002781 InChI Key: ODJQKYXPKWQWNK-UHFFFAOYSA-N Synonym: 3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid PubChem CID: 8096 IUPAC Name: 3-(2-carboxyethylsulfanyl)propanoic acid SMILES: C(CSCCC(=O)O)C(=O)O

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PubChem CID	8096
CAS	111-17-1
Molecular Weight (g/mol)	178.2
MDL Number	MFCD00002781
SMILES	C(CSCCC(=O)O)C(=O)O
Synonym	3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid
IUPAC Name	3-(2-carboxyethylsulfanyl)propanoic acid
InChI Key	ODJQKYXPKWQWNK-UHFFFAOYSA-N
Molecular Formula	C₆H₁₀O₄S

3,3'-Thiodipropionic acid, 98%

CAS: 111-17-1 Molecular Formula: C6H10O4S Molecular Weight (g/mol): 178.202 MDL Number: MFCD00002781 InChI Key: ODJQKYXPKWQWNK-UHFFFAOYSA-N Synonym: 3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid PubChem CID: 8096 IUPAC Name: 3-(2-carboxyethylsulfanyl)propanoic acid SMILES: C(CSCCC(=O)O)C(=O)O

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PubChem CID	8096
CAS	111-17-1
Molecular Weight (g/mol)	178.202
MDL Number	MFCD00002781
SMILES	C(CSCCC(=O)O)C(=O)O
Synonym	3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid
IUPAC Name	3-(2-carboxyethylsulfanyl)propanoic acid
InChI Key	ODJQKYXPKWQWNK-UHFFFAOYSA-N
Molecular Formula	C6H10O4S

4-Amino-2-(methylthio)pyrimidine-5-carbonitrile, 97%

CAS: 770-30-9 Molecular Formula: C6H6N4S Molecular Weight (g/mol): 166.20 MDL Number: MFCD00023237 InChI Key: VYDHBDPZNLVELI-UHFFFAOYSA-N Synonym: 4-amino-2-methylthio pyrimidine-5-carbonitrile,4-amino-2-methylsulfanyl pyrimidine-5-carbonitrile,4-amino-2-methylthio-5-pyrimidinecarbonitrile,4-amino-2-methylsulfanyl-pyrimidine-5-carbonitrile,4-amino-2-methylthiopyrimidine-5-carbonitrile,maybridge1_004789,acmc-20a4j5,4-amino-5-cyano-2-methylthiopyrimidine,4-amino-5-cyano-2-methylthio pyrimidine PubChem CID: 295757 IUPAC Name: 4-amino-2-methylsulfanylpyrimidine-5-carbonitrile SMILES: CSC1=NC=C(C#N)C(N)=N1

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PubChem CID	295757
CAS	770-30-9
Molecular Weight (g/mol)	166.20
MDL Number	MFCD00023237
SMILES	CSC1=NC=C(C#N)C(N)=N1
Synonym	4-amino-2-methylthio pyrimidine-5-carbonitrile,4-amino-2-methylsulfanyl pyrimidine-5-carbonitrile,4-amino-2-methylthio-5-pyrimidinecarbonitrile,4-amino-2-methylsulfanyl-pyrimidine-5-carbonitrile,4-amino-2-methylthiopyrimidine-5-carbonitrile,maybridge1_004789,acmc-20a4j5,4-amino-5-cyano-2-methylthiopyrimidine,4-amino-5-cyano-2-methylthio pyrimidine
IUPAC Name	4-amino-2-methylsulfanylpyrimidine-5-carbonitrile
InChI Key	VYDHBDPZNLVELI-UHFFFAOYSA-N
Molecular Formula	C6H6N4S

Chloromethyl methyl sulfide, 94%

CAS: 2373-51-5 Molecular Formula: C2H5ClS Molecular Weight (g/mol): 96.57 MDL Number: MFCD00000923 InChI Key: JWMLCCRPDOIBAV-UHFFFAOYSA-N Synonym: chloromethyl methyl sulfide,chlorodimethyl sulfide,methylthiomethyl chloride,chloro methylthio methane,methane, chloro methylthio,chlorodimethyl thioether,chloromethyl methyl thioether,monochlorodimethyl sulfide,chloro methylsulfanyl methane,clorodimetilsolfuro PubChem CID: 16916 IUPAC Name: chloro(methylsulfanyl)methane SMILES: CSCCl

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PubChem CID	16916
CAS	2373-51-5
Molecular Weight (g/mol)	96.57
MDL Number	MFCD00000923
SMILES	CSCCl
Synonym	chloromethyl methyl sulfide,chlorodimethyl sulfide,methylthiomethyl chloride,chloro methylthio methane,methane, chloro methylthio,chlorodimethyl thioether,chloromethyl methyl thioether,monochlorodimethyl sulfide,chloro methylsulfanyl methane,clorodimetilsolfuro
IUPAC Name	chloro(methylsulfanyl)methane
InChI Key	JWMLCCRPDOIBAV-UHFFFAOYSA-N
Molecular Formula	C2H5ClS

(Ethylthio)acetone, 95%

CAS: 20996-62-7 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.194 MDL Number: MFCD00026976 InChI Key: ZKDXKBIOEVBFGV-UHFFFAOYSA-N PubChem CID: 88750 IUPAC Name: 1-ethylsulfanylpropan-2-one SMILES: CCSCC(=O)C

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PubChem CID	88750
CAS	20996-62-7
Molecular Weight (g/mol)	118.194
MDL Number	MFCD00026976
SMILES	CCSCC(=O)C
IUPAC Name	1-ethylsulfanylpropan-2-one
InChI Key	ZKDXKBIOEVBFGV-UHFFFAOYSA-N
Molecular Formula	C5H10OS

2-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridylmethylthio]-1H-benzimidazole, 98%

CAS: 103577-40-8 Molecular Formula: C16H14F3N3OS Molecular Weight (g/mol): 353.363 MDL Number: MFCD00834357 InChI Key: CCHLMSUZHFPSFC-UHFFFAOYSA-N Synonym: lansoprazole sulfide,2-3-methyl-4-2,2,2-trifluoroethoxy pyridin-2-yl methyl thio-1h-benzo d imidazole,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methylthio-1h-benzimidazole,unii-58xp950e2t,lansoprazole sulphide compound,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methyl thio-1h-benzimidazole,2-methyl-4-2,2,2-trifluoroethoxy pyridinyl thio-1h-binzimidazole,1h-benzimidazole,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methyl thio,2-3-methyl-4-2,2,2-trifluoroethoxy pyridin-2-yl methyl sulfanyl-1h-1,3-benzodiazole,2-3-methyl-4-2,2,2-trifluoroethoxy pyridinyl methyl thio-1h-benzimidazole PubChem CID: 1094080 IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole SMILES: CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F

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Specifications

PubChem CID	1094080
CAS	103577-40-8
Molecular Weight (g/mol)	353.363
MDL Number	MFCD00834357
SMILES	CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F
Synonym	lansoprazole sulfide,2-3-methyl-4-2,2,2-trifluoroethoxy pyridin-2-yl methyl thio-1h-benzo d imidazole,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methylthio-1h-benzimidazole,unii-58xp950e2t,lansoprazole sulphide compound,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methyl thio-1h-benzimidazole,2-methyl-4-2,2,2-trifluoroethoxy pyridinyl thio-1h-binzimidazole,1h-benzimidazole,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methyl thio,2-3-methyl-4-2,2,2-trifluoroethoxy pyridin-2-yl methyl sulfanyl-1h-1,3-benzodiazole,2-3-methyl-4-2,2,2-trifluoroethoxy pyridinyl methyl thio-1h-benzimidazole
IUPAC Name	2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
InChI Key	CCHLMSUZHFPSFC-UHFFFAOYSA-N
Molecular Formula	C16H14F3N3OS

Thioethers

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