2-Methylthioethylamine

C3H9NSCAS 18542-42-291.17 g/mol

Open in Covalent MOL file
SNH2
Primary amineSulfide

Properties

Molecular formula
C3H9NS
Molar mass
91.17 g/mol
Exact mass
91.0456 Da
Boiling point
146–148 °C
logP
0.31Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
18542-42-2
SMILES
CSCCN
InChIKey
CYWGSFFHHMQKET-UHFFFAOYSA-N
InChI
InChI=1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Ethanamine, 2-(methylthio)-
  • Ethylamine, 2-(methylthio)-
  • S-Methylcysteamine
  • 2-(Methylthio)ethylamine
  • 2-Aminoethyl methyl sulfide
  • 1-Aza-4-thiapentane
  • 1-Amino-2-(methylthio)ethane
  • 2-(Methylthio)ethanamine
  • 2-Methylmercaptoethylamine
  • 2-(Methylsulfanyl)ethylamine
  • 2-(Methylsulfanyl)ethanamine
  • 2-(Methylsulfanyl)ethan-1-amine
  • (2-(Methylthio)ethyl)amine

Work with 2-Methylthioethylamine

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

3-(Methylthio)propylamine4104-45-467 % similar Cystamine dihydrochloride56-17-747 % similar 2,2′-Thiobis[ethanamine]871-76-147 % similar 2-(Ethylthio)ethylamine36489-03-943 % similar Methyl propyl sulphide3877-15-442 % similar 2-(Methylthio)ethanol5271-38-540 % similar 2-Chloroethyl methyl sulfide542-81-440 % similar Butyl methyl sulfide628-29-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia