4-(Methylthio)aniline

C7H9NSCAS 104-96-1139.22 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
Melting point
156–158 °C
Boiling point
272.5 °C
logP
1.99Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
104-96-1
SMILES
CSc1ccc(N)cc1
InChIKey
YKFROQCFVXOUPW-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

Weigh it out

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

Names and synonyms

18 names · show all
  • Benzenamine, 4-(methylthio)-
  • Aniline, p-(methylthio)-
  • 4-(Methylthio)benzenamine
  • p-(Methylthio)aniline
  • p-Thioanisidine
  • p-Aminophenyl methyl sulfide
  • p-Thiomethoxyaniline
  • p-Aminothioanisole
  • 4-Aminothioanisole
  • Methyl p-aminophenyl sulfide
  • 4-Aminophenyl methyl sulfide
  • [4-(Methylthio)phenyl]amine
  • NSC 75842
  • 4-(Methylsulfanyl)aniline
  • 4-(Methylsulfanyl)phenylamine
  • 4-Methylthiobenzeneamine
  • p-Methylsulfanylphenylamine
  • 1-Amino-4-(methylthio)benzene

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

Similar compounds

4,4′-Thiodianiline139-65-157 % similar 4-Aminophenyl disulfide722-27-057 % similar Methyl p-tolyl sulfide623-13-252 % similar Thioanisole100-68-550 % similar 4-Bromothioanisole104-95-050 % similar P-Phenylenediamine106-50-350 % similar 4-(Methylthio)phenol1073-72-950 % similar 4-(Methylthio)benzenethiol1122-97-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Methylthio)benzenamine1783-81-9 2-(Methylthio)aniline2987-53-3 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine54903-50-3

Elsewhere

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