3-oxo-3-(thiophen-2-yl)propanenitrile

3-oxo-3-(thiophen-2-yl)propanenitrile

CAS: 33898-90-7

Formula: C7H5NOS

SMILES: O=C(CC#N)C1=CC=CS1

IUPAC: 3-oxo-3-(thiophen-2-yl)propanenitrile

InChI: InChI=1S/C7H5NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2

Composition: C (55.61%), H (3.33%), N (9.26%), O (10.58%), S (21.21%)

Molar Mass: 151.18

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	151.009184959
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XWWUQBHVRILEPB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.67
Topological Polar Surface Area	40.86
Polarizability	14.46
Ring Count	1
Rotatable Bond Count	2

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