5-bromo-2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

5-bromo-2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

Formula: C14H10Br2N2S

SMILES: BrC1=CC=C(CSC2=NC3=CC(Br)=CC=C3N2)C=C1

IUPAC: 5-bromo-2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

InChI: InChI=1S/C14H10Br2N2S/c15-10-3-1-9(2-4-10)8-19-14-17-12-6-5-11(16)7-13(12)18-14/h1-7H,8H2,(H,17,18)

Composition: C (42.24%), H (2.53%), Br (40.14%), N (7.04%), S (8.05%)

Molar Mass: 398.12

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	395.893146
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	OEBUSIYCCLXWRN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	87.11
Topological Polar Surface Area	28.68
Polarizability	34.63
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H10Br2N2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00