2-(2,4,5-trimethylthiophen-3-yl)acetonitrile

2-(2,4,5-trimethylthiophen-3-yl)acetonitrile

CAS: 112440-49-0

Formula: C9H11NS

SMILES: CC1=C(C)C(CC#N)=C(C)S1

IUPAC: 2-(2,4,5-trimethylthiophen-3-yl)acetonitrile

InChI: InChI=1S/C9H11NS/c1-6-7(2)11-8(3)9(6)4-5-10/h4H2,1-3H3

Composition: C (65.41%), H (6.71%), N (8.48%), S (19.40%)

Molar Mass: 165.25

Atom Count: 22

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.061220532
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GVRRCQCZKOPGDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.6
Topological Polar Surface Area	23.79
Polarizability	17.78
Ring Count	1
Rotatable Bond Count	1

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