2-(Methylthio)aniline
Properties
- Molecular formula
- C7H9NS
- Molar mass
- 139.22 g/mol
- Exact mass
- 139.0456 Da
- Density
- 1.115 g/mL (at 25 °C)
- Melting point
- 215 °C
- Boiling point
- 234 °C
- logP
- 1.99Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed85.7% of notifiers
- H302 Harmful if swallowed10.2% of notifiers
- H311 Toxic in contact with skin14.3% of notifiers
- H315 Causes skin irritation20.4% of notifiers
- H319 Causes serious eye irritation20.4% of notifiers
- H332 Harmful if inhaled10.2% of notifiers
- H335 May cause respiratory irritation10.2% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2987-53-3SMILES
CSc1ccccc1NInChIKey
WBRPQQSADOCKCH-UHFFFAOYSA-NInChI
InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
17 names · show all
- Benzenamine, 2-(methylthio)-
- Aniline, o-(methylthio)-
- 2-(Methylthio)benzenamine
- o-Aminophenyl methyl sulfide
- o-(Methylthio)aniline
- 2-(Methylmercapto)aniline
- 2-Aminothioanisole
- 2-Aminophenyl methyl sulfide
- o-(Methylmercapto)aniline
- o-Aminothioanisole
- Methyl o-aminophenyl sulfide
- (2-(Methylthio)phenyl)amine
- NSC 41588
- NSC 62853
- NSC 9425
- 2-(Methylsulfanyl)aniline
- 2-Methylsulfanylphenylamine
Work with 2-(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
Bis(2-aminophenyl) disulfide1141-88-461 % similar
2,2'-Diaminodiphenyl sulfide5873-51-861 % similar
2-(Phenylthio)aniline1134-94-752 % similar
2-Bromothioanisole19614-16-550 % similar
2-Methoxythioanisole2388-73-050 % similar
2-[(Trifluoromethyl)thio]benzenamine347-55-748 % similar
2-(Methylthio)phenol1073-29-648 % similar
2-Chlorophenyl methyl sulfide17733-22-148 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.