2-bromo-N-(2-{[(2-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

2-bromo-N-(2-{[(2-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

Formula: C21H14Br2N2OS2

SMILES: BrC1=CC=CC=C1CSC1=NC2=CC=C(NC(=O)C3=CC=CC=C3Br)C=C2S1

IUPAC: 2-bromo-N-(2-{[(2-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

InChI: InChI=1S/C21H14Br2N2OS2/c22-16-7-3-1-5-13(16)12-27-21-25-18-10-9-14(11-19(18)28-21)24-20(26)15-6-2-4-8-17(15)23/h1-11H,12H2,(H,24,26)

Composition: C (47.21%), H (2.64%), Br (29.91%), N (5.24%), O (2.99%), S (12.00%)

Molar Mass: 534.28

Atom Count: 42

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	531.891431
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GVRPRIIIJDQDNH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.8
Topological Polar Surface Area	41.99
Polarizability	48.23
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H14Br2N2OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00