chempirical

Benzenamine, 2-(phenylthio)-, hydrochloride (1:1)

C12H12ClNSCAS 6764-13-2237.75 g/mol

Open in Covalent MOL file
HClH2NS
Primary amineSulfide

Properties

Molecular formula
C12H12ClNS
Molar mass
237.75 g/mol
Exact mass
237.0379 Da
Melting point
36 °C
logP
3.84Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
6764-13-2
SMILES
Cl.Nc1ccccc1Sc1ccccc1
InChIKey
XCFXJRCTEOTOJD-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NS.ClH/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;/h1-9H,13H2;1H

Weigh it out

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

Names and synonyms

3 names
  • Aniline, o-(phenylthio)-, hydrochloride
  • Benzenamine, 2-(phenylthio)-, hydrochloride
  • NSC 633006

Work with Benzenamine, 2-(phenylthio)-, hydrochloride (1:1)

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)aniline1134-94-788 % similar 2-[(4-Chlorophenyl)thio]benzenamine37750-29-161 % similar Bis(2-aminophenyl) disulfide1141-88-452 % similar 4-(Phenylthio)-1,2-benzenediamine43156-48-547 % similar 2-(Methylthio)aniline2987-53-347 % similar 2-[(Trifluoromethyl)thio]benzenamine347-55-742 % similar o-Chloroaniline hydrochloride137-04-242 % similar o-Aminophenol hydrochloride51-19-442 % similar

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

Elsewhere

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