ethyl N-(4-cyanobenzenesulfonyl)carbamate

ethyl N-(4-cyanobenzenesulfonyl)carbamate

CAS: 227327-16-4

Formula: C10H10N2O4S

SMILES: CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)C#N

IUPAC: ethyl N-(4-cyanobenzenesulfonyl)carbamate

InChI: InChI=1S/C10H10N2O4S/c1-2-16-10(13)12-17(14,15)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3,(H,12,13)

Composition: C (47.24%), H (3.96%), N (11.02%), O (25.17%), S (12.61%)

Molar Mass: 254.26

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.036127984
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VPJUWXCHOPTBNN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.88
Topological Polar Surface Area	96.26
Polarizability	23.83
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	227327-16-4		$1,420.00-$2,420.00$1,420.00$1,880.00$2,420.00