3-({[(2-bromophenyl)formamido]methanethioyl}amino)benzoic acid

3-({[(2-bromophenyl)formamido]methanethioyl}amino)benzoic acid

Formula: C15H11BrN2O3S

SMILES: OC(=O)C1=CC(NC(=S)NC(=O)C2=CC=CC=C2Br)=CC=C1

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

InChI: InChI=1S/C15H11BrN2O3S/c16-12-7-2-1-6-11(12)13(19)18-15(22)17-10-5-3-4-9(8-10)14(20)21/h1-8H,(H,20,21)(H2,17,18,19,22)

Composition: C (47.51%), H (2.92%), Br (21.07%), N (7.39%), O (12.66%), S (8.45%)

Molar Mass: 379.23

Atom Count: 33

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	377.967376
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	VQFFIECCJGKROZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.7
Topological Polar Surface Area	78.43
Polarizability	34.3
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H11BrN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00