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

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

Formula: C15H10ClIN2O3S

SMILES: OC(=O)C1=CC(Cl)=CC=C1NC(=S)NC(=O)C1=CC=CC(I)=C1

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

InChI: InChI=1S/C15H10ClIN2O3S/c16-9-4-5-12(11(7-9)14(21)22)18-15(23)19-13(20)8-2-1-3-10(17)6-8/h1-7H,(H,21,22)(H2,18,19,20,23)

Composition: C (39.11%), H (2.19%), Cl (7.70%), I (27.55%), N (6.08%), O (10.42%), S (6.96%)

Molar Mass: 460.67

Atom Count: 33

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	459.91454
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	BWPOGIOOPLYFDY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	103.25
Topological Polar Surface Area	78.43
Polarizability	38.59
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H10ClIN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00