4-(benzenesulfonyl)but-2-enenitrile

4-(benzenesulfonyl)but-2-enenitrile

CAS: 133167-32-5

Formula: C10H9NO2S

SMILES: O=S(=O)(CC=CC#N)C1=CC=CC=C1

IUPAC: 4-(benzenesulfonyl)but-2-enenitrile

InChI: InChI=1S/C10H9NO2S/c11-8-4-5-9-14(12,13)10-6-2-1-3-7-10/h1-7H,9H2

Composition: C (57.96%), H (4.38%), N (6.76%), O (15.44%), S (15.47%)

Molar Mass: 207.25

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.035399708
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FXCZUNVHUVEENU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.44
Topological Polar Surface Area	57.93
Polarizability	21.44
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	133167-32-5		$51.35-$524.40$51.35$63.37$86.31$524.40