3-(4-methylbenzenesulfonyl)propanenitrile

3-(4-methylbenzenesulfonyl)propanenitrile

CAS: 10154-80-0

Formula: C10H11NO2S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCC#N

IUPAC: 3-(4-methylbenzenesulfonyl)propanenitrile

InChI: InChI=1S/C10H11NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h3-6H,2,8H2,1H3

Composition: C (57.40%), H (5.30%), N (6.69%), O (15.29%), S (15.32%)

Molar Mass: 209.26

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.051049772
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	UUALZLNCEFPJNN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.78
Topological Polar Surface Area	57.93
Polarizability	21.61
Ring Count	1
Rotatable Bond Count	3

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