chempirical

3-(Methylthio)benzenamine

C7H9NSCAS 1783-81-9139.22 g/mol

Open in Covalent MOL file
SNH2
Primary amineSulfide

Properties

Molecular formula
C7H9NS
Molar mass
139.22 g/mol
Exact mass
139.0456 Da
Boiling point
163–165 °C
logP
1.99Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1783-81-9
SMILES
CSc1cccc(N)c1
InChIKey
KCHLDNLIJVSRPK-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • Benzenamine, 3-(methylthio)-
  • Aniline, m-(methylthio)-
  • m-Aminophenyl methyl sulfide
  • m-(Methylthio)aniline
  • m-Aminothioanisole
  • 3-(Methylthio)aniline
  • 3-Methylmercaptoaniline
  • 3-Aminothioanisole
  • NSC 66274
  • 3-(Methylsulfanyl)phenylamine
  • 3-(Methylsulfanyl)aniline
  • 3-Aminophenyl methyl sulfide

Work with 3-(Methylthio)benzenamine

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

1-Chloro-3-(methylthio)benzene4867-37-254 % similar 1-Fluoro-3-(methylthio)benzene658-28-654 % similar 3-[(Trifluoromethyl)thio]benzenamine369-68-653 % similar M-Phenylenediamine108-45-252 % similar 3-Iodothioanisole130416-73-852 % similar 3-Bromothioanisole33733-73-252 % similar 3-Methoxythioanisole2388-74-148 % similar Thioanisole100-68-548 % similar

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

Same formula

4-(Methylthio)aniline104-96-1 2-(Methylthio)aniline2987-53-3 4,5,6,7-Tetrahydrothieno[3,2-C]pyridine54903-50-3

Elsewhere

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