4-(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)benzoic acid

4-(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)benzoic acid

Formula: C16H14ClNO3S

SMILES: OC(=O)C1=CC=C(NC(=O)CSCC2=CC=C(Cl)C=C2)C=C1

IUPAC: 4-(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)benzoic acid

InChI: InChI=1S/C16H14ClNO3S/c17-13-5-1-11(2-6-13)9-22-10-15(19)18-14-7-3-12(4-8-14)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)

Composition: C (57.23%), H (4.20%), Cl (10.56%), N (4.17%), O (14.29%), S (9.55%)

Molar Mass: 335.8

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	335.0382922
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OINOQKKMWRXMLD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.12
Topological Polar Surface Area	66.4
Polarizability	33.92
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14ClNO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00