chempirical

2-(Phenylthio)aniline

C12H11NSCAS 1134-94-7201.29 g/mol

Open in Covalent MOL file
H2NS
Primary amineSulfide

Properties

Molecular formula
C12H11NS
Molar mass
201.29 g/mol
Exact mass
201.0612 Da
Melting point
31–32 °C
logP
3.42Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
1134-94-7
SMILES
Nc1ccccc1Sc1ccccc1
InChIKey
DGBISJKLNVVJGD-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 2-(phenylthio)-
  • Aniline, o-(phenylthio)-
  • 2-(Phenylthio)benzenamine
  • 2-Aminophenyl phenyl sulfide
  • o-(Phenylthio)aniline
  • 2-Aminodiphenyl sulfide
  • 2-Aminophenyl phenyl thioether
  • 2-(Phenylsulfanyl)phenylamine
  • 2-Phenylsulfanylaniline

Work with 2-(Phenylthio)aniline

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

Benzenamine, 2-(phenylthio)-, hydrochloride (1:1)6764-13-288 % similar 2-[(4-Chlorophenyl)thio]benzenamine37750-29-168 % similar Bis(2-aminophenyl) disulfide1141-88-458 % similar 2-(Methylthio)aniline2987-53-352 % similar 4-(Phenylthio)-1,2-benzenediamine43156-48-552 % similar Diphenyl sulfide139-66-250 % similar 2-[(Trifluoromethyl)thio]benzenamine347-55-747 % similar O-Phenylenediamine95-54-545 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook