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

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

Formula: C16H15BrN2O2S

SMILES: COC1=CC=C(OCCSC2=NC3=CC(Br)=CC=C3N2)C=C1

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

InChI: InChI=1S/C16H15BrN2O2S/c1-20-12-3-5-13(6-4-12)21-8-9-22-16-18-14-7-2-11(17)10-15(14)19-16/h2-7,10H,8-9H2,1H3,(H,18,19)

Composition: C (50.67%), H (3.99%), Br (21.07%), N (7.39%), O (8.44%), S (8.45%)

Molar Mass: 379.27

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	378.003762
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VJEFVNMYASGZHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.04
Topological Polar Surface Area	47.14
Polarizability	36.88
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15BrN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00