chempirical

3-Aminothiophenol

C6H7NSCAS 22948-02-3125.19 g/mol

Open in Covalent MOL file
H2NSH
Primary amineThiol

Properties

Molecular formula
C6H7NS
Molar mass
125.19 g/mol
Exact mass
125.0299 Da
Boiling point
180–190 °C (at 16 Torr)
logP
1.56Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
22948-02-3
SMILES
Nc1cccc(S)c1
InChIKey
KFFUEVDMVNIOHA-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NS/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2

Weigh it out

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

Names and synonyms

7 names
  • Benzenethiol, 3-amino-
  • Benzenethiol, m-amino-
  • 3-Aminobenzenethiol
  • m-Aminothiophenol
  • 3-Mercaptoaniline
  • m-Aminobenzenethiol
  • 3-Aminobenzene-1-thiol

Work with 3-Aminothiophenol

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

M-Phenylenediamine108-45-260 % similar 1,3-Benzenedithiol626-04-060 % similar M-Phenylenediamine hydrochloride541-69-552 % similar 3-Chloroaniline108-42-948 % similar 3-Chlorothiophenol2037-31-248 % similar 3-Fluorothiophenol2557-77-948 % similar 3-Fluoroaniline372-19-048 % similar 3-Methylbenzenethiol108-40-746 % similar

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

Same formula

4-Aminothiophenol1193-02-8 2-Aminothiophenol137-07-5 4-Methyl-5-vinylthiazole1759-28-0 2-(Methylthio)pyridine18438-38-5 2-Pyridinemethanethiol2044-73-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook