2-{2-[(4-bromophenyl)sulfanyl]acetamido}benzoic acid

2-{2-[(4-bromophenyl)sulfanyl]acetamido}benzoic acid

Formula: C15H12BrNO3S

SMILES: OC(=O)C1=CC=CC=C1NC(=O)CSC1=CC=C(Br)C=C1

IUPAC: 2-{2-[(4-bromophenyl)sulfanyl]acetamido}benzoic acid

InChI: InChI=1S/C15H12BrNO3S/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)

Composition: C (49.19%), H (3.30%), Br (21.82%), N (3.82%), O (13.11%), S (8.75%)

Molar Mass: 366.23

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	364.972127
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CDLIBRQUNAUJEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.21
Topological Polar Surface Area	66.4
Polarizability	32.99
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H12BrNO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00