4-chloro-2-[2-(phenylsulfanyl)acetamido]benzoic acid

4-chloro-2-[2-(phenylsulfanyl)acetamido]benzoic acid

Formula: C15H12ClNO3S

SMILES: OC(=O)C1=CC=C(Cl)C=C1NC(=O)CSC1=CC=CC=C1

IUPAC: 4-chloro-2-[2-(phenylsulfanyl)acetamido]benzoic acid

InChI: InChI=1S/C15H12ClNO3S/c16-10-6-7-12(15(19)20)13(8-10)17-14(18)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)(H,19,20)

Composition: C (55.99%), H (3.76%), Cl (11.02%), N (4.35%), O (14.92%), S (9.96%)

Molar Mass: 321.78

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	321.0226421
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PVALUPHVSCHVQA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.39
Topological Polar Surface Area	66.4
Polarizability	32.08
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H12ClNO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00