4-chloro-3-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)benzoic acid

4-chloro-3-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)benzoic acid

Formula: C16H12Cl3NO3S

SMILES: OC(=O)C1=CC=C(Cl)C(NC(=O)CSCC2=CC=C(Cl)C=C2Cl)=C1

IUPAC: 4-chloro-3-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)benzoic acid

InChI: InChI=1S/C16H12Cl3NO3S/c17-11-3-1-10(13(19)6-11)7-24-8-15(21)20-14-5-9(16(22)23)2-4-12(14)18/h1-6H,7-8H2,(H,20,21)(H,22,23)

Composition: C (47.49%), H (2.99%), Cl (26.28%), N (3.46%), O (11.86%), S (7.92%)

Molar Mass: 404.69

Atom Count: 36

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	402.9603475
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PQSQCRCGKOIMAD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.73
Topological Polar Surface Area	66.4
Polarizability	37.78
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H12Cl3NO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00