chempirical

2-Thiophenecarbonitrile

C5H3NSCAS 1003-31-2109.15 g/mol

Open in Covalent MOL file
NS
Nitrile

Properties

Molecular formula
C5H3NS
Molar mass
109.15 g/mol
Exact mass
108.9986 Da
Density
1.18 g/mL (at 16 °C)
Melting point
125–134 °C (decomposes)
Boiling point
192 °C
logP
1.62Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1003-31-2
SMILES
N#Cc1cccs1
InChIKey
CUPOOAWTRIURFT-UHFFFAOYSA-N
InChI
InChI=1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H

Weigh it out

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

Names and synonyms

5 names
  • 2-Cyanothiophene
  • 2-Thienonitrile
  • 2-Thienylcarbonitrile
  • Thiopheno-2-carbonitrile
  • 2-Thiophenenitrile

Work with 2-Thiophenecarbonitrile

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

2-Thiopheneacetonitrile20893-30-541 % similar 2,2'-Bithiophene492-97-739 % similar Phthalonitrile91-15-639 % similar Benzonitrile100-47-038 % similar 2-Phenylthiophene825-55-837 % similar 3-Bromo-2-thiophenecarbonitrile18791-98-537 % similar 4-Bromo-2-cyanothiophene18791-99-637 % similar 2-Aminothiophene-3-carbonitrile4651-82-537 % similar

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

Same formula

3-Thiophenecarbonitrile1641-09-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook