chempirical

Isopropyl thiocyanate

C4H7NSCAS 625-59-2101.17 g/mol

Open in Covalent MOL file
SN
NitrileSulfide

Properties

Molecular formula
C4H7NS
Molar mass
101.17 g/mol
Exact mass
101.0299 Da
logP
1.61Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
625-59-2
SMILES
CC(C)SC#N
InChIKey
CUABTFPYLQSPAE-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NS/c1-4(2)6-3-5/h4H,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Propan-2-yl thiocyanate
  • (Methylethyl)thiocarbonitrile
  • Isopropylthiocyanate
  • Isopropylthiocyanat
  • 2-Thiocyanato-propane

Work with Isopropyl thiocyanate

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

Methyl thiocyanate556-64-935 % similar Diisopropyl disulfide4253-89-833 % similar Diisopropyl sulfide625-80-933 % similar Ethyl thiocyanate542-90-530 % similar Diisopropyl trisulfide5943-34-030 % similar

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

Same formula

Isopropyl isothiocyanate2253-73-8 2-Methyl-2-thiazoline2346-00-1 Propyl isothiocyanate628-30-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook