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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Diphenylmethanes (7)
Fluorobenzenes (5)
Phenoxy compounds (3)
Trifluoromethylbenzenes (3)
Iodobenzenes (2)
Phenylmethylamines (2)
Sulfanilides (2)

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methanesulfonate

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1 – 10 of 10 results
1

Phenyl methanesulfonate, 98%

CAS: 16156-59-5 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00095143 InChI Key: WXVUCMFEGJUVTN-UHFFFAOYSA-N Synonym: phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester PubChem CID: 316170 IUPAC Name: phenyl methanesulfonate SMILES: CS(=O)(=O)OC1=CC=CC=C1

PubChem CID 316170
CAS 16156-59-5
Molecular Weight (g/mol) 172.20
MDL Number MFCD00095143
SMILES CS(=O)(=O)OC1=CC=CC=C1
Synonym phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester
IUPAC Name phenyl methanesulfonate
InChI Key WXVUCMFEGJUVTN-UHFFFAOYSA-N
Molecular Formula C7H8O3S
2

Methanesulfonic Acid 3-(3-Trifluoromethylphenyl)propyl Ester, TRC

CAS: 21172-43-0 Molecular Formula: C11 H13 F3 O3 S Molecular Weight (g/mol): 282.28 Synonym: Benzenepropanol, 3-(trifluoromethyl)-, 1-methanesulfonate, 1-Propanol, 3-(α,α,α-trifluoro-m-tolyl)-, methanesulfonate (8CI),Benzenepropanol, 3-(trifluoromethyl)-, methanesulfonate (9CI),3-(3-Trifluoromethylphenyl)propyl methanesulfonate,Methanesulfonic acid 3-(3-trifluoromethylphenyl)propyl ester,3-(trifluoromethyl)Benzenepropanal, Methanesulfonate,1-Propanol, 3-(α,α,α-trifluoro-m-tolyl)-, Methanesulfonate,Benzenepropanol, 3-(trifluoromethyl)-, 1-Methanesulfonate IUPAC Name: 3-[3-(trifluoromethyl)phenyl]propyl methanesulfonate SMILES: CS(=O)(=O)OCCCc1cccc(c1)C(F)(F)F

CAS 21172-43-0
Molecular Weight (g/mol) 282.28
SMILES CS(=O)(=O)OCCCc1cccc(c1)C(F)(F)F
Synonym Benzenepropanol, 3-(trifluoromethyl)-, 1-methanesulfonate, 1-Propanol, 3-(α,α,α-trifluoro-m-tolyl)-, methanesulfonate (8CI),Benzenepropanol, 3-(trifluoromethyl)-, methanesulfonate (9CI),3-(3-Trifluoromethylphenyl)propyl methanesulfonate,Methanesulfonic acid 3-(3-trifluoromethylphenyl)propyl ester,3-(trifluoromethyl)Benzenepropanal, Methanesulfonate,1-Propanol, 3-(α,α,α-trifluoro-m-tolyl)-, Methanesulfonate,Benzenepropanol, 3-(trifluoromethyl)-, 1-Methanesulfonate
IUPAC Name 3-[3-(trifluoromethyl)phenyl]propyl methanesulfonate
Molecular Formula C11 H13 F3 O3 S
3

Abemaciclib methanesulfonate, MedChemExpress

MedChemExpress Abemaciclib methanesulfonate (LY2835219 methanesulfonate) is a selective CDK4/6 inhibitor with IC50s of 2 nM and 10 nM for CDK4 and CDK6, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 602.7
Color Light Yellow
Physical Form Solid
Chemical Name or Material Abemaciclib methanesulfonate
Grade Research
SMILES CC(N1C2=CC(C3=NC(NC4=NC=C(CN5CCN(CC)CC5)C=C4)=NC=C3F)=CC(F)=C2N=C1C)C.CS(=O)(O)=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.0%
CAS 1231930-82-7
Solubility Information H2O : 125 mg/mL (207.40 mM; Need ultrasonic) ∣DMSO : 10 mg/mL (16.59 mM; ultrasonic and warming and heat to 80°C)
Health Hazard 1 H360∣H373∣H410
Synonym LY2835219 methanesulfonate
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C28H36F2N8O3S
Formula Weight 602.7
4

Benztropine Mesylate, MP Biomedicals™

CAS: 132-17-2 Molecular Formula: C22H29NO4S Molecular Weight (g/mol): 403.54 MDL Number: MFCD00074784 InChI Key: CPFJLLXFNPCTDW-STYNFMPRSA-N Synonym: benztropine mesylate,cogentin,benztropine mesilate,benztropine methanesulfonate,unii-wmj8tl7510,benztropine methylsulfonate,benzatropine mesilate,benzatropine mesylate,benzotropine mesylate,cobrentin methanesulfonate PubChem CID: 3246155 SMILES: CS(O)(=O)=O.CN1[C@@H]2CC[C@@H]1CC(C2)OC(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 3246155
CAS 132-17-2
Molecular Weight (g/mol) 403.54
MDL Number MFCD00074784
SMILES CS(O)(=O)=O.CN1[C@@H]2CC[C@@H]1CC(C2)OC(C1=CC=CC=C1)C1=CC=CC=C1
Synonym benztropine mesylate,cogentin,benztropine mesilate,benztropine methanesulfonate,unii-wmj8tl7510,benztropine methylsulfonate,benzatropine mesilate,benzatropine mesylate,benzotropine mesylate,cobrentin methanesulfonate
InChI Key CPFJLLXFNPCTDW-STYNFMPRSA-N
Molecular Formula C22H29NO4S
7

Benzotropine Mesylate, TRC

CAS: 132-17-2 Molecular Formula: C21 H25 N O . C H4 O3 S Molecular Weight (g/mol): 403.54 Synonym: 1αH,5αH-Tropane, 3α-(diphenylmethoxy)-, methanesulfonate,8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, (3-endo)-, methanesulfonate,8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, endo-, methanesulfonate,3-Diphenylmethoxytropane mesylate,3-Diphenylmethoxytropane methanesulfonate,Benzatropine methanesulfonate,Benzotropine mesylate,Benzotropine methanesulfonate,Benztropine mesylate,Benztropine methanesulfonate,Cobrentin methanesulfonate,Cogentin,Cogentin methanesulfonate,Cogentinol,MK 02,NSC 169913,Tropine benzohydryl ether methanesulfonate IUPAC Name: (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;methanesulfonic acid SMILES: CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c3ccccc3)c4ccccc4.CS(=O)(=O)O

CAS 132-17-2
Molecular Weight (g/mol) 403.54
SMILES CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c3ccccc3)c4ccccc4.CS(=O)(=O)O
Synonym 1αH,5αH-Tropane, 3α-(diphenylmethoxy)-, methanesulfonate,8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, (3-endo)-, methanesulfonate,8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, endo-, methanesulfonate,3-Diphenylmethoxytropane mesylate,3-Diphenylmethoxytropane methanesulfonate,Benzatropine methanesulfonate,Benzotropine mesylate,Benzotropine methanesulfonate,Benztropine mesylate,Benztropine methanesulfonate,Cobrentin methanesulfonate,Cogentin,Cogentin methanesulfonate,Cogentinol,MK 02,NSC 169913,Tropine benzohydryl ether methanesulfonate
IUPAC Name (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
Molecular Formula C21 H25 N O . C H4 O3 S
8

Dabrafenib Mesylate, TRC

CAS: 1195768-06-9 Molecular Formula: C23 H20 F3 N5 O2 S2 . C H4 O3 S Molecular Weight (g/mol): 615.67 Synonym: Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-, methanesulfonate (1:1),Dabrafenib mesylate,GSK 2118436 methanesulfonate salt,GSK 2118436B,N-[3-[5-(2-Aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide methanesulfonic acid,Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-, methanesulfonate (1:1),Dabrafenib mesylate,GSK 2118436 methanesulfonate salt,GSK 2118436B,N-[3-[5-(2-Aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide methanesulfonic acid,GSK 2118436B IUPAC Name: N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;methanesulfonic acid SMILES: CC(C)(C)c1nc(c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)c4ccnc(N)n4.CS(=O)(=O)O

CAS 1195768-06-9
Molecular Weight (g/mol) 615.67
SMILES CC(C)(C)c1nc(c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)c4ccnc(N)n4.CS(=O)(=O)O
Synonym Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-, methanesulfonate (1:1),Dabrafenib mesylate,GSK 2118436 methanesulfonate salt,GSK 2118436B,N-[3-[5-(2-Aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide methanesulfonic acid,Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-, methanesulfonate (1:1),Dabrafenib mesylate,GSK 2118436 methanesulfonate salt,GSK 2118436B,N-[3-[5-(2-Aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide methanesulfonic acid,GSK 2118436B
IUPAC Name N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;methanesulfonic acid
Molecular Formula C23 H20 F3 N5 O2 S2 . C H4 O3 S
9

1-Benzhydryl-3-azetidinyl methanesulfonate, 95%, Thermo Scientific™

CAS: 33301-41-6 Molecular Formula: C17H19NO3S Molecular Weight (g/mol): 317.40 MDL Number: MFCD00159216 InChI Key: MSVZMUILYMLJCF-UHFFFAOYSA-N Synonym: 1-benzhydryl-3-methanesulfonyloxy azetidine,1-benzhydryl-3-methanesulfonatoazetidine,1-diphenylmethyl-3-methanesulfonyloxy azetidine,1-diphenylmethyl-3-azetidinyl methanesulfonate,1-diphenylmethyl azetidin-3-yl methanesulfonate,1-benzhydryl-3-azetidinyl methanesulfonate,1-benzhydrylazetidin-3-yl methanesulfonate,methanesulfonic acid 1-benzhydryl-azetidin-3-yl ester,1-benzhydryl-3-methanesulfonyloxyazetidine PubChem CID: 2758716 IUPAC Name: (1-benzhydrylazetidin-3-yl) methanesulfonate SMILES: CS(=O)(=O)OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 2758716
CAS 33301-41-6
Molecular Weight (g/mol) 317.40
MDL Number MFCD00159216
SMILES CS(=O)(=O)OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 1-benzhydryl-3-methanesulfonyloxy azetidine,1-benzhydryl-3-methanesulfonatoazetidine,1-diphenylmethyl-3-methanesulfonyloxy azetidine,1-diphenylmethyl-3-azetidinyl methanesulfonate,1-diphenylmethyl azetidin-3-yl methanesulfonate,1-benzhydryl-3-azetidinyl methanesulfonate,1-benzhydrylazetidin-3-yl methanesulfonate,methanesulfonic acid 1-benzhydryl-azetidin-3-yl ester,1-benzhydryl-3-methanesulfonyloxyazetidine
IUPAC Name (1-benzhydrylazetidin-3-yl) methanesulfonate
InChI Key MSVZMUILYMLJCF-UHFFFAOYSA-N
Molecular Formula C17H19NO3S
10

8-Benzyl-3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-3-ene, 95%, Thermo Scientific™

CAS: 949902-02-7 Molecular Formula: C15H16F3NO3S Molecular Weight (g/mol): 347.36 InChI Key: GBUXWXWPNDHMRG-UHFFFAOYSA-N Synonym: 8-benzyl-8-aza-bicyclo 3.2.1 oct-2-en-3-yl trifluoromethanesulfonate,8-benzyl-8-azabicyclo 3.2.1 oct-2-en-3-yl trifluoromethanesulfonate,8-benzyl-8-azabicyclo 3.2.1 oct-3-en-3-yl trifluoromethanesulfonate,trifluoro-methanesulfonic acid 8-benzyl-8-aza-bicyclo 3.2.1 oct-2-en-3-yl ester,trifluoro-methanesulfonic acid 8-benzyl-8-azabicyclo 3.2.1 oct-2-en-3-yl ester,trifluoromethanesulfonic acid 8-benzyl-8-aza-bicyclo 3.2.1 oct-2-en-3-yl ester PubChem CID: 49835910 IUPAC Name: (8-benzyl-8-azabicyclo[3.2.1]oct-3-en-3-yl) trifluoromethanesulfonate SMILES: C1CC2C=C(CC1N2CC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F

PubChem CID 49835910
CAS 949902-02-7
Molecular Weight (g/mol) 347.36
SMILES C1CC2C=C(CC1N2CC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F
Synonym 8-benzyl-8-aza-bicyclo 3.2.1 oct-2-en-3-yl trifluoromethanesulfonate,8-benzyl-8-azabicyclo 3.2.1 oct-2-en-3-yl trifluoromethanesulfonate,8-benzyl-8-azabicyclo 3.2.1 oct-3-en-3-yl trifluoromethanesulfonate,trifluoro-methanesulfonic acid 8-benzyl-8-aza-bicyclo 3.2.1 oct-2-en-3-yl ester,trifluoro-methanesulfonic acid 8-benzyl-8-azabicyclo 3.2.1 oct-2-en-3-yl ester,trifluoromethanesulfonic acid 8-benzyl-8-aza-bicyclo 3.2.1 oct-2-en-3-yl ester
IUPAC Name (8-benzyl-8-azabicyclo[3.2.1]oct-3-en-3-yl) trifluoromethanesulfonate
InChI Key GBUXWXWPNDHMRG-UHFFFAOYSA-N
Molecular Formula C15H16F3NO3S