chempirical

2-(Methylthio)acetonitrile

C3H5NSCAS 35120-10-687.14 g/mol

Open in Covalent MOL file
SN
NitrileSulfide

Properties

Molecular formula
C3H5NS
Molar mass
87.14 g/mol
Exact mass
87.0143 Da
Boiling point
74.5 °C (at 20 Torr)
logP
0.87Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
35120-10-6
SMILES
CSCC#N
InChIKey
ZRIGDBVSVFSVLL-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NS/c1-5-3-2-4/h3H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Acetonitrile, 2-(methylthio)-
  • Acetonitrile, (methylthio)-
  • (Methylthio)acetonitrile
  • Cyanomethyl methyl sulfide
  • NSC 207831
  • 2-(Methylsulfanyl)acetonitrile
  • 2-Methylsulfanylacetonitrile

Work with 2-(Methylthio)acetonitrile

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methoxyacetonitrile1738-36-936 % similar Propionitrile107-12-035 % similar 2-(Phenylthio)acetonitrile5219-61-435 % similar Succinonitrile110-61-233 % similar 3-Methoxypropionitrile110-67-833 % similar 2,4-Dithiapentane1618-26-433 % similar N-Methylaminoacetonitrile hydrochloride25808-30-432 % similar 3,3-Dimethoxypropionitrile57597-62-332 % similar

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

Same formula

Ethyl isothiocyanate542-85-8 Ethyl thiocyanate542-90-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook