1-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)-5-oxopyrrolidine-3-carboxylic acid

CAS: 1440535-35-2

Formula: C14H16ClNO3S

SMILES: OC(=O)C1CN(CCSCC2=CC=CC=C2Cl)C(=O)C1

IUPAC: 1-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1/C14H16ClNO3S/c15-12-4-2-1-3-10(12)9-20-6-5-16-8-11(14(18)19)7-13(16)17/h1-4,11H,5-9H2,(H,18,19)

Composition: C (53.59%), H (5.14%), Cl (11.30%), N (4.46%), O (15.30%), S (10.22%)

Molar Mass: 313.8

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	313.0539423
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PYVFHFUNXIKNHY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.83
Topological Polar Surface Area	57.61
Polarizability	31.04
Ring Count	2
Rotatable Bond Count	6

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90%	<2 Days	1440535-35-2		$51.35-$86.31$51.35$63.37$86.31