chempirical

2-Thiopheneacetonitrile

C6H5NSCAS 20893-30-5123.17 g/mol

Open in Covalent MOL file
NS
Nitrile

Properties

Molecular formula
C6H5NS
Molar mass
123.17 g/mol
Exact mass
123.0143 Da
Density
1.153 g/mL (at 25 °C)
Melting point
50–51 °C
Boiling point
115–120 °C
logP
1.81Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
20893-30-5
SMILES
N#CCc1cccs1
InChIKey
CLSHQIDDCJTHAJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2

Weigh it out

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

Names and synonyms

4 names
  • 2-Thienylacetonitrile
  • 2-(Cyanomethyl)thiophene
  • 2-(Thien-2-yl)acetonitrile
  • 2-(Thiophen-2-yl)acetonitrile

Work with 2-Thiopheneacetonitrile

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-Thiophenemethanamine27757-85-346 % similar 2-Thiophenemethanethiol6258-63-546 % similar 2-Thiophenemethanol636-72-646 % similar 2-(Chloromethyl)thiophene765-50-446 % similar 2-Ethylthiophene872-55-946 % similar 1,2-Benzenediacetonitrile613-73-046 % similar 2-Propylthiophene1551-27-543 % similar 2-Thiopheneethanamine30433-91-143 % similar

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

Same formula

3-Thiopheneacetonitrile13781-53-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook