chempirical

p-Toluenesulfenyl chloride

C7H7ClSCAS 933-00-6158.64 g/mol

Open in Covalent MOL file
SCl

Properties

Molecular formula
C7H7ClS
Molar mass
158.64 g/mol
Exact mass
157.9957 Da
logP
3.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
933-00-6
SMILES
CC1=CC=C(C=C1)SCl
InChIKey
RSGBMGFQNOGIPC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClS/c1-6-2-4-7(9-8)5-3-6/h2-5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • (4-Methylphenyl) thiohypochlorite
  • p-Tolyl hypochlorothioite
  • 4-Methylbenzenesulfenyl chloride
  • 4-Methylphenylsulfenyl chloride
  • p-Methylbenzenesulfenyl chloride
  • p-Tolylhypochlorothioite
  • p-Tolylsulfenyl chloride
  • 4-Toluenesulfenyl chloride
  • p-Methylphenylsulfenyl chloride
  • Thiohypochlorous acid p-tolyl ester
  • Benzenesulfenyl chloride, 4-methyl-
  • Hypochlorothioous acid,4-Methylphenyl ester

Reactions

Work with p-Toluenesulfenyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

p-Tolyl disulfide103-19-560 % similar Methyl p-tolyl sulfide623-13-252 % similar P-Xylene106-42-350 % similar Benzenesulfenyl chloride931-59-950 % similar 4-Methyldiphenyl sulfide3699-01-248 % similar 4-Chlorotoluene106-43-443 % similar Tri-p-tolylamine1159-53-143 % similar Di-p-tolyl613-33-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Chloro-4-(methylthio)benzene123-09-1 2-Chlorophenyl methyl sulfide17733-22-1 2-Chlorobenzyl mercaptan39718-00-8 1-Chloro-3-(methylthio)benzene4867-37-2 4-Chlorobenzyl mercaptan6258-66-8 [(Chloromethyl)thio]benzene7205-91-6

Elsewhere

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