4-chloro-3-[(acetamidomethanethioyl)amino]benzoic acid

4-chloro-3-[(acetamidomethanethioyl)amino]benzoic acid

Formula: C10H9ClN2O3S

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

IUPAC: 4-chloro-3-[(acetamidomethanethioyl)amino]benzoic acid

InChI: InChI=1S/C10H9ClN2O3S/c1-5(14)12-10(17)13-8-4-6(9(15)16)2-3-7(8)11/h2-4H,1H3,(H,15,16)(H2,12,13,14,17)

Composition: C (44.04%), H (3.33%), Cl (13.00%), N (10.27%), O (17.60%), S (11.76%)

Molar Mass: 272.7

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.002241
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	RLKRPCFZEODPFJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.22
Topological Polar Surface Area	78.43
Polarizability	25.92
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C10H9ClN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00