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Tosyl compounds

Organic compounds that consist of a toluene molecule with a sulfonyl group substitution; a sulfonyl group consists of a sulfur atom bonded to two oxygen atoms via double bonds. A toluene molecule is a benzene with a methyl group substitution.

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2

p-Toluenesulfonylacetic acid, 98%

CAS: 3937-96-0 Molecular Formula: C9H10O4S Molecular Weight (g/mol): 214.235 MDL Number: MFCD00021764 InChI Key: AQDHXMBUTDLAMD-UHFFFAOYSA-N Synonym: 2-tosylacetic acid,4-toluenesulfonylacetic acid,4-methylphenyl sulfonyl acetic acid,2-p-toluenesulfonyl acetic acid,tosylacetic acid,unii-yid78nf77o,p-toluenesulphonylacetic acid,4-toluenesulphonylacetic acid,p-toluenesulfonylacetic acid,yid78nf77o PubChem CID: 77538 IUPAC Name: 2-(4-methylphenyl)sulfonylacetic acid SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O

PubChem CID 77538
CAS 3937-96-0
Molecular Weight (g/mol) 214.235
MDL Number MFCD00021764
SMILES CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O
Synonym 2-tosylacetic acid,4-toluenesulfonylacetic acid,4-methylphenyl sulfonyl acetic acid,2-p-toluenesulfonyl acetic acid,tosylacetic acid,unii-yid78nf77o,p-toluenesulphonylacetic acid,4-toluenesulphonylacetic acid,p-toluenesulfonylacetic acid,yid78nf77o
IUPAC Name 2-(4-methylphenyl)sulfonylacetic acid
InChI Key AQDHXMBUTDLAMD-UHFFFAOYSA-N
Molecular Formula C9H10O4S
3

p-Toluenesulfonylacetonitrile, 98+%

CAS: 5697-44-9 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00039487 InChI Key: BBNNLJMGPASZPD-UHFFFAOYSA-N Synonym: p-toluenesulfonylacetonitrile,2-tosylacetonitrile,tosylacetonitrile,p-tolylsulfonylacetonitrile,4-methylphenyl sulfonyl acetonitrile,4-toluenesulfonylacetonitrile,4-methylphenyl sulfonylacetonitrile,4-toluenesulphonylacetonitrile,p-cyanomethylsulfonyl toluene,tosylmethyl isocyanide PubChem CID: 79776 IUPAC Name: 2-(4-methylphenyl)sulfonylacetonitrile SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC#N

PubChem CID 79776
CAS 5697-44-9
Molecular Weight (g/mol) 195.24
MDL Number MFCD00039487
SMILES CC1=CC=C(C=C1)S(=O)(=O)CC#N
Synonym p-toluenesulfonylacetonitrile,2-tosylacetonitrile,tosylacetonitrile,p-tolylsulfonylacetonitrile,4-methylphenyl sulfonyl acetonitrile,4-toluenesulfonylacetonitrile,4-methylphenyl sulfonylacetonitrile,4-toluenesulphonylacetonitrile,p-cyanomethylsulfonyl toluene,tosylmethyl isocyanide
IUPAC Name 2-(4-methylphenyl)sulfonylacetonitrile
InChI Key BBNNLJMGPASZPD-UHFFFAOYSA-N
Molecular Formula C9H9NO2S
4

p-Toluenesulfonyl chloride, 99+%

CAS: 98-59-9 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.64 MDL Number: MFCD00007450 InChI Key: YYROPELSRYBVMQ-UHFFFAOYSA-N Synonym: tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride PubChem CID: 7397 IUPAC Name: 4-methylbenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1)S(Cl)(=O)=O

PubChem CID 7397
CAS 98-59-9
Molecular Weight (g/mol) 190.64
MDL Number MFCD00007450
SMILES CC1=CC=C(C=C1)S(Cl)(=O)=O
Synonym tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride
IUPAC Name 4-methylbenzenesulfonyl chloride
InChI Key YYROPELSRYBVMQ-UHFFFAOYSA-N
Molecular Formula C7H7ClO2S
5

Tosylmethyl isocyanide, 98%

CAS: 36635-61-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00000005 InChI Key: CFOAUYCPAUGDFF-UHFFFAOYSA-N Synonym: tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene PubChem CID: 161915 IUPAC Name: 1-(isocyanomethylsulfonyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]

PubChem CID 161915
CAS 36635-61-7
Molecular Weight (g/mol) 195.24
MDL Number MFCD00000005
SMILES CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]
Synonym tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene
IUPAC Name 1-(isocyanomethylsulfonyl)-4-methylbenzene
InChI Key CFOAUYCPAUGDFF-UHFFFAOYSA-N
Molecular Formula C9H9NO2S
7

p-Toluenesulfonyl cyanide, 95%

CAS: 19158-51-1 Molecular Formula: C8H7NO2S Molecular Weight (g/mol): 181.21 InChI Key: JONIMGVUGJVFQD-UHFFFAOYSA-N Synonym: tosyl cyanide,p-toluenesulfonyl cyanide,4-methylbenzenesulfonyl cyanide,p-toluenesulphonyl cyanide,p-toluene sulfonyl cyanide,p-tolylsulfonyl cyanide,p-toluenesulfonylcyanide,benzenesulfonylcyanide, 4-methyl,benzenesulfonyl cyanide, 4-methyl,4-methylphenyl sulfonylformonitrile PubChem CID: 87946 IUPAC Name: (4-methylphenyl)sulfonylformonitrile SMILES: CC1=CC=C(C=C1)S(=O)(=O)C#N

PubChem CID 87946
CAS 19158-51-1
Molecular Weight (g/mol) 181.21
SMILES CC1=CC=C(C=C1)S(=O)(=O)C#N
Synonym tosyl cyanide,p-toluenesulfonyl cyanide,4-methylbenzenesulfonyl cyanide,p-toluenesulphonyl cyanide,p-toluene sulfonyl cyanide,p-tolylsulfonyl cyanide,p-toluenesulfonylcyanide,benzenesulfonylcyanide, 4-methyl,benzenesulfonyl cyanide, 4-methyl,4-methylphenyl sulfonylformonitrile
IUPAC Name (4-methylphenyl)sulfonylformonitrile
InChI Key JONIMGVUGJVFQD-UHFFFAOYSA-N
Molecular Formula C8H7NO2S
8

3'-N-Desmethyl-3'-N-tosyl Azithromycin, TRC

CAS: 612069-31-5 Molecular Formula: C44 H76 N2 O14 S Molecular Weight (g/mol): 889.14 Synonym: 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-[methyl[(4-methylphenyl)sulfonyl]amino]-beta-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-,(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-[methyl[(4-methylphenyl)sulfonyl]amino]-beta-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one,3'-N-Demethyl-3'-N-[(4-methylphenyl)sulfonyl]azithromycin,Azithromycin Imp. G (EP),3'-N-Desmethyl-3'-N-tosyl Azithromycin,Arithromycin Impurity G IUPAC Name: N-[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-N,4-dimethylbenzenesulfonamide SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)S(=O)(=O)c4ccc(C)cc4)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O

CAS 612069-31-5
Molecular Weight (g/mol) 889.14
SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)S(=O)(=O)c4ccc(C)cc4)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Synonym 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-[methyl[(4-methylphenyl)sulfonyl]amino]-beta-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-,(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-[methyl[(4-methylphenyl)sulfonyl]amino]-beta-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one,3'-N-Demethyl-3'-N-[(4-methylphenyl)sulfonyl]azithromycin,Azithromycin Imp. G (EP),3'-N-Desmethyl-3'-N-tosyl Azithromycin,Arithromycin Impurity G
IUPAC Name N-[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-N,4-dimethylbenzenesulfonamide
Molecular Formula C44 H76 N2 O14 S
9

4-Tolylsulfonamide, TRC

CAS: 70-55-3 Molecular Formula: C7 H9 N O2 S Molecular Weight (g/mol): 171.22 Synonym: (4-Methylphenyl)sulfonamide,4-Methylbenzenesulphonamide,Toluenesulfonamide,Tolbutamide Imp. A (EP),Gliclazide Imp. A (EP),Benzenesulfonamide, 4-methyl- (9CI, ACI),4-Methylbenzenesulfonamide (ACI),p-Toluenesulfonamide (8CI),4-Methylbenzene-1-sulfonamide,4-Methylbenzensulfonamide,4-Methylphenylsulfonamide,4-Tolylsulfonamide,GWA 101,NSC 9908,p-Methylbenzenesulfonamide,p-Tolylsulfonamide,p-Tosylamide,Plasticizer 15,Toluene-4-sulfonamide,Tolylsulfonamide,Topcizer 1S,Tosylamide,Uniplex 173 IUPAC Name: 4-methylbenzenesulfonamide SMILES: Cc1ccc(cc1)S(=O)(=O)N

CAS 70-55-3
Molecular Weight (g/mol) 171.22
SMILES Cc1ccc(cc1)S(=O)(=O)N
Synonym (4-Methylphenyl)sulfonamide,4-Methylbenzenesulphonamide,Toluenesulfonamide,Tolbutamide Imp. A (EP),Gliclazide Imp. A (EP),Benzenesulfonamide, 4-methyl- (9CI, ACI),4-Methylbenzenesulfonamide (ACI),p-Toluenesulfonamide (8CI),4-Methylbenzene-1-sulfonamide,4-Methylbenzensulfonamide,4-Methylphenylsulfonamide,4-Tolylsulfonamide,GWA 101,NSC 9908,p-Methylbenzenesulfonamide,p-Tolylsulfonamide,p-Tosylamide,Plasticizer 15,Toluene-4-sulfonamide,Tolylsulfonamide,Topcizer 1S,Tosylamide,Uniplex 173
IUPAC Name 4-methylbenzenesulfonamide
Molecular Formula C7 H9 N O2 S
10

2-Chloroethyl p-tolyl sulfone, 98%, Thermo Scientific™

CAS: 22381-53-9 Molecular Formula: C9H11ClO2S Molecular Weight (g/mol): 218.695 MDL Number: MFCD00051607 InChI Key: KUAGAJLNIOIGRN-UHFFFAOYSA-N Synonym: sulfone, 2-chloroethyl p-tolyl,2-chloroethyl p-tolyl sulfone,1-2-chloroethanesulfonyl-4-methylbenzene,1-2-chloroethyl sulfonyl-4-methylbenzene,2-chloro-1-4-methylphenyl sulfonyl ethane,p-toluene 2-chloroethyl sulphone,2-chloroethylp-tolylsulfone,benzene, 1-2-chloroethyl sulfonyl-4-methyl,2-chloroethyl p-tolyl sulphone PubChem CID: 188162 IUPAC Name: 1-(2-chloroethylsulfonyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCCl

PubChem CID 188162
CAS 22381-53-9
Molecular Weight (g/mol) 218.695
MDL Number MFCD00051607
SMILES CC1=CC=C(C=C1)S(=O)(=O)CCCl
Synonym sulfone, 2-chloroethyl p-tolyl,2-chloroethyl p-tolyl sulfone,1-2-chloroethanesulfonyl-4-methylbenzene,1-2-chloroethyl sulfonyl-4-methylbenzene,2-chloro-1-4-methylphenyl sulfonyl ethane,p-toluene 2-chloroethyl sulphone,2-chloroethylp-tolylsulfone,benzene, 1-2-chloroethyl sulfonyl-4-methyl,2-chloroethyl p-tolyl sulphone
IUPAC Name 1-(2-chloroethylsulfonyl)-4-methylbenzene
InChI Key KUAGAJLNIOIGRN-UHFFFAOYSA-N
Molecular Formula C9H11ClO2S
11

Methyl p-toluenesulfonylacetate, 98+%, Thermo Scientific™

CAS: 50397-64-3 Molecular Formula: C10H12O4S Molecular Weight (g/mol): 228.262 MDL Number: MFCD00025885 InChI Key: JMUZMDKWJWSBCU-UHFFFAOYSA-N Synonym: methyl p-toluenesulfonylacetate,methyl p-tolylsulfonyl acetate,methyl 2-tosylacetate,methyl 4-methylphenyl sulfonyl acetate,acetic acid, 4-methylphenyl sulfonyl-, methyl ester,methyl 2-4-methylphenyl sulfonyl acetate,methyl 2-p-tolylsulfonyl acetate,methyl p-toluenesulphonylacetate,methyl 2-4-methylphenyl sulfonylacetate,methyl 2-4-methylbenzenesulfonyl acetate PubChem CID: 39660 IUPAC Name: methyl 2-(4-methylphenyl)sulfonylacetate SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)OC

PubChem CID 39660
CAS 50397-64-3
Molecular Weight (g/mol) 228.262
MDL Number MFCD00025885
SMILES CC1=CC=C(C=C1)S(=O)(=O)CC(=O)OC
Synonym methyl p-toluenesulfonylacetate,methyl p-tolylsulfonyl acetate,methyl 2-tosylacetate,methyl 4-methylphenyl sulfonyl acetate,acetic acid, 4-methylphenyl sulfonyl-, methyl ester,methyl 2-4-methylphenyl sulfonyl acetate,methyl 2-p-tolylsulfonyl acetate,methyl p-toluenesulphonylacetate,methyl 2-4-methylphenyl sulfonylacetate,methyl 2-4-methylbenzenesulfonyl acetate
IUPAC Name methyl 2-(4-methylphenyl)sulfonylacetate
InChI Key JMUZMDKWJWSBCU-UHFFFAOYSA-N
Molecular Formula C10H12O4S
12

p-Toluenesulfonyl fluoride, 97%, Thermo Scientific™

CAS: 455-16-3 Molecular Formula: C7H7FO2S Molecular Weight (g/mol): 174.189 InChI Key: IZZYABADQVQHLC-UHFFFAOYSA-N Synonym: p-toluenesulfonyl fluoride,tosyl fluoride,4-toluenesulfonyl fluoride,benzenesulfonyl fluoride, 4-methyl,4-tolylsulfonyl fluoride,toluene-4-sulfonyl fluoride,p-methylbenzenesulfonyl fluoride,p-toluenesulphonyl fluoride,toluene-p-sulphonyl fluoride,p-methylphenylsulfonyl fluoride PubChem CID: 9965 IUPAC Name: 4-methylbenzenesulfonyl fluoride SMILES: CC1=CC=C(C=C1)S(=O)(=O)F

PubChem CID 9965
CAS 455-16-3
Molecular Weight (g/mol) 174.189
SMILES CC1=CC=C(C=C1)S(=O)(=O)F
Synonym p-toluenesulfonyl fluoride,tosyl fluoride,4-toluenesulfonyl fluoride,benzenesulfonyl fluoride, 4-methyl,4-tolylsulfonyl fluoride,toluene-4-sulfonyl fluoride,p-methylbenzenesulfonyl fluoride,p-toluenesulphonyl fluoride,toluene-p-sulphonyl fluoride,p-methylphenylsulfonyl fluoride
IUPAC Name 4-methylbenzenesulfonyl fluoride
InChI Key IZZYABADQVQHLC-UHFFFAOYSA-N
Molecular Formula C7H7FO2S