chempirical

Cyanothioacetamide

C3H4N2SCAS 7357-70-2100.14 g/mol

Open in Covalent MOL file
NNHSH
NitrileThiol

Properties

Molecular formula
C3H4N2S
Molar mass
100.14 g/mol
Exact mass
100.0095 Da
Melting point
121–123 °C
logP
0.81Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
7357-70-2
SMILES
N#CCC(=N)S
InChIKey
BHPYMZQTCPRLNR-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N2S/c4-2-1-3(5)6/h1H2,(H2,5,6)

Weigh it out

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

Names and synonyms

7 names
  • Ethanethioamide, 2-cyano-
  • Acetamide, 2-cyanothio-
  • 2-Cyanoethanethioamide
  • α-Cyanothioacetamide
  • (Thiocarbamoyl)acetonitrile
  • 2-Cyanothioacetamide
  • NSC 53405

Work with Cyanothioacetamide

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

Cyanoacetamide107-91-544 % similar N-(Aminocarbonyl)-2-cyanoacetamide1448-98-235 % similar Cyanoacetic acid372-09-833 % similar 2-Amino-1-propene-1,1,3-tricarbonitrile868-54-232 % similar 3-Cyclopropyl-3-oxopropanenitrile118431-88-231 % similar 1-Cyclopentene-1-acetonitrile22734-04-931 % similar Pivaloylacetonitrile59997-51-231 % similar 3-Hexenedinitrile1119-85-330 % similar

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

Same formula

2-Imidazolidinethione872-35-5 2-Aminothiazole96-50-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook