2-chloro-5-({[(3-chloro-4-methylphenyl)formamido]methanethioyl}amino)benzoic acid

2-chloro-5-({[(3-chloro-4-methylphenyl)formamido]methanethioyl}amino)benzoic acid

Formula: C16H12Cl2N2O3S

SMILES: CC1=CC=C(C=C1Cl)C(=O)NC(=S)NC1=CC=C(Cl)C(=C1)C(O)=O

IUPAC: 2-chloro-5-({[(3-chloro-4-methylphenyl)formamido]methanethioyl}amino)benzoic acid

InChI: InChI=1S/C16H12Cl2N2O3S/c1-8-2-3-9(6-13(8)18)14(21)20-16(24)19-10-4-5-12(17)11(7-10)15(22)23/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)

Composition: C (50.14%), H (3.16%), Cl (18.50%), N (7.31%), O (12.52%), S (8.37%)

Molar Mass: 383.24

Atom Count: 36

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	381.9945688
Formal Charge	0
FSP3	0.06
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	MHQPUMOSCCHDNU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.73
Topological Polar Surface Area	78.43
Polarizability	37.07
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H12Cl2N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00