2-[(4-Chlorophenyl)thio]benzenamine

C₁₂H₁₀ClNSCAS 37750-29-1235.73 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Sulfide

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

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 Benzenamine, 2-(phenylthio)-, hydrochloride (1:1)6764-13-261 % similar 2-(4-Chlorophenylthio)benzaldehyde107572-07-653 % similar 1-[(4-Chlorophenyl)thio]-2-nitrobenzene6764-10-949 % similar 4′-Chloro[1,1′-biphenyl]-2-amine1204-44-048 % similar Bis(2-aminophenyl) disulfide1141-88-448 % similar 2-(4-Chlorophenoxy)benzenamine2770-11-844 % similar N1-(4-Chlorophenyl)-1,2-benzenediamine68817-71-044 % similar

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

Elsewhere

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