3-methylthiophene-2-carbonitrile

3-methylthiophene-2-carbonitrile

CAS: 55406-13-8

Formula: C6H5NS

SMILES: CC1=C(SC=C1)C#N

IUPAC: 3-methylthiophene-2-carbonitrile

InChI: InChI=1S/C6H5NS/c1-5-2-3-8-6(5)4-7/h2-3H,1H3

Composition: C (58.51%), H (4.09%), N (11.37%), S (26.03%)

Molar Mass: 123.17

Atom Count: 13

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	123.014270339
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ALZHYEITUZEZMT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.71
Topological Polar Surface Area	23.79
Polarizability	12.59
Ring Count	1
Rotatable Bond Count	0

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