2-methanesulfinyl-2-methylpropanenitrile

2-methanesulfinyl-2-methylpropanenitrile

CAS: 14668-28-1

Formula: C5H9NOS

SMILES: CS(=O)C(C)(C)C#N

IUPAC: 2-methanesulfinyl-2-methylpropanenitrile

InChI: InChI=1/C5H9NOS/c1-5(2,4-6)8(3)7/h1-3H3

Composition: C (45.78%), H (6.92%), N (10.68%), O (12.20%), S (24.44%)

Molar Mass: 131.19

Atom Count: 17

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	131.040485088
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YZZXHIULTSZKHA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.91
Topological Polar Surface Area	40.86
Polarizability	13.42
Ring Count	0
Rotatable Bond Count	1

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