2-[(4-Chlorophenyl)thio]benzenamine

C12H10ClNSCAS 37750-29-1235.73 g/mol

Open in Covalent MOL file
H2NSCl
Aryl halidePrimary amineSulfide

Properties

Molecular formula
C12H10ClNS
Molar mass
235.73 g/mol
Exact mass
235.0222 Da
Melting point
32 °C
Boiling point
164–166 °C (at 0.45 Torr)
logP
4.07Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
37750-29-1
SMILES
Nc1ccccc1Sc1ccc(Cl)cc1
InChIKey
JZLUOCTZACJYNR-UHFFFAOYSA-N
InChI
InChI=1S/C12H10ClNS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,14H2

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Names and synonyms

6 names
  • Benzenamine, 2-[(4-chlorophenyl)thio]-
  • Aniline, o-[(p-chlorophenyl)thio]-
  • 2-Aminophenyl 4-chlorophenyl sulfide
  • o-(p-Chlorophenylthio)aniline
  • 2-[(4-Chlorophenyl)sulfanyl]aniline
  • 2-(4-Chlorophenyl)sulfanylaniline

Work with 2-[(4-Chlorophenyl)thio]benzenamine

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

2-(Phenylthio)aniline1134-94-768 % similar 2-(Phenylthio)aniline hydrochloride6764-13-261 % similar 2,2'-Diaminodiphenyl sulfide5873-51-859 % similar 2-(4-Chlorophenylthio)benzaldehyde107572-07-653 % similar 1-(4-Chlorophenyl)sulfanyl-2-nitrobenzene6764-10-949 % similar 2-Amino-4'-chlorobiphenyl1204-44-048 % similar Bis(2-aminophenyl) disulfide1141-88-448 % similar 2-Fluoro-6-(4-chlorophenylthio)benzonitrile175204-12-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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