benzyl N-[4-chloro-3-oxo-1-(phenylsulfanyl)butan-2-yl]carbamate

benzyl N-[4-chloro-3-oxo-1-(phenylsulfanyl)butan-2-yl]carbamate

Formula: C18H18ClNO3S

SMILES: ClCC(=O)C(CSC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1

IUPAC: benzyl N-[4-chloro-3-oxo-1-(phenylsulfanyl)butan-2-yl]carbamate

InChI: InChI=1/C18H18ClNO3S/c19-11-17(21)16(13-24-15-9-5-2-6-10-15)20-18(22)23-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,22)

Composition: C (59.42%), H (4.99%), Cl (9.74%), N (3.85%), O (13.19%), S (8.81%)

Molar Mass: 363.86

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	363.0695923
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GHOXYLYITXKSDS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.78
Topological Polar Surface Area	55.4
Polarizability	37.81
Ring Count	2
Rotatable Bond Count	9

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C18H18ClNO3S		Quote Only