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

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

Formula: C14H11BrN2S

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

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

InChI: InChI=1S/C14H11BrN2S/c15-11-7-5-10(6-8-11)9-18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)

Composition: C (52.68%), H (3.47%), Br (25.03%), N (8.78%), S (10.04%)

Molar Mass: 319.22

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	317.982633
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	SSZXTFFESFXOKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.49
Topological Polar Surface Area	28.68
Polarizability	31.8
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H11BrN2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00