chempirical

3-Methylthiophene-2-carbonitrile

C6H5NSCAS 55406-13-8123.17 g/mol

Open in Covalent MOL file
SN
Nitrile

Properties

Molecular formula
C6H5NS
Molar mass
123.17 g/mol
Exact mass
123.0143 Da
logP
1.93Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
55406-13-8
SMILES
CC1=C(SC=C1)C#N
InChIKey
ALZHYEITUZEZMT-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NS/c1-5-2-3-8-6(5)4-7/h2-3H,1H3

Weigh it out

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

Work with 3-Methylthiophene-2-carbonitrile

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

3-Bromo-2-thiophenecarbonitrile18791-98-552 % similar 2-Chloro-3-methylthiophene14345-97-246 % similar 2,3-Dimethylthiophene632-16-644 % similar 2,5-Dimethylbenzonitrile13730-09-142 % similar 2-Bromo-3-methylthiophene14282-76-941 % similar 2-Methylbenzonitrile529-19-141 % similar 2,6-Dimethylbenzonitrile6575-13-941 % similar 2,4-Dimethylbenzonitrile21789-36-641 % similar

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

Same formula

3-Thiopheneacetonitrile13781-53-8 2-Thiopheneacetonitrile20893-30-5

Elsewhere

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