chempirical

4-Aminothiophenol

C6H7NSCAS 1193-02-8125.19 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
Melting point
46 °C
Boiling point
143 °C
logP
1.56Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
1193-02-8
SMILES
Nc1ccc(S)cc1
InChIKey
WCDSVWRUXWCYFN-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

Weigh it out

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

Names and synonyms

10 names
  • Benzenethiol, 4-amino-
  • Benzenethiol, p-amino-
  • 4-Aminobenzenethiol
  • 4-Mercaptoaniline
  • p-Aminothiophenol
  • p-Aminobenzenethiol
  • p-Aminophenyl mercaptan
  • p-Mercaptoaniline
  • 4-Mercaptobenzenamine
  • p-Aminophenylthiol

Work with 4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

P-Phenylenediamine106-50-360 % similar 1,4-Benzenedithiol624-39-560 % similar 1,4-Diaminobenzene dihydrochloride624-18-050 % similar Benzidine92-87-550 % similar 4,4′-Ethylenedianiline621-95-445 % similar 4,4'-Methylenedianiline101-77-943 % similar 4,4'-Oxydianiline101-80-443 % similar 4-Bromoaniline106-40-143 % similar

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

Same formula

2-Aminothiophenol137-07-5 4-Methyl-5-vinylthiazole1759-28-0 2-(Methylthio)pyridine18438-38-5 2-Pyridinemethanethiol2044-73-7 3-Aminothiophenol22948-02-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook