2-(Phenylthio)aniline

C₁₂H₁₁NSCAS 1134-94-7201.29 g/mol

Open in Covalent MOL file

Primary amine Sulfide

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

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-181-00-9), via PubChem.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-(Phenylthio)aniline hydrochloride6764-13-2Salt

Similar compounds

2,2'-Diaminodiphenyl sulfide5873-51-873 % 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-Methyl diphenyl sulfide13963-35-450 % similar 2-[(Trifluoromethyl)thio]benzenamine347-55-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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