C1=CSC(=C1)C#N
CAS: 1003-31-2
Name: thiophene-2-carbonitrile
SMILES: C1=CSC(=C1)C#N

Molecular Processing

Molecular formula
C5H3NS
Molecular weight
109.15
Exact mass
108.9986
XLogP
1.62
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
29.03

Supplementary Information

InChIKey: CUPOOAWTRIURFT-UHFFFAOYSA-N
Synonyme
2-ThiophenecarbonitrileThiophene-2-carbonitrile2-ThenylcyanideEINECS 213-706-0CUPOOAWTRIURFT-UHFFFAOYSA-DTXSID10143114RefChem:89464DTXCID9065605213-706-0CUPOOAWTRIURFT-UHFFFAOYSA-NInChI=1/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H1003-31-22-CyanothiopheneMFCD00005416Thiophenecarbonitrile2-Thiophene carbonitrile2-thenonitrile2-thiophenenitrile2-cyano-thiophene2-Thiophenonitrile2-thiophencarbonitrilethiopene-2-carbonitrileSCHEMBL12605BIDD:GT0001SCHEMBL126031SCHEMBL127953SCHEMBL1292382-Thiophenecarbonitrile, 99%SCHEMBL2171239CHEMBL2229531
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