2-[(5-chloro-2-nitrophenyl)sulfanyl]-1H-1,3-benzodiazole

2-[(5-chloro-2-nitrophenyl)sulfanyl]-1H-1,3-benzodiazole

Formula: C13H8ClN3O2S

SMILES: [O-][N+](=O)C1=CC=C(Cl)C=C1SC1=NC2=CC=CC=C2N1

IUPAC: 2-[(5-chloro-2-nitrophenyl)sulfanyl]-1H-1,3-benzodiazole

InChI: InChI=1S/C13H8ClN3O2S/c14-8-5-6-11(17(18)19)12(7-8)20-13-15-9-3-1-2-4-10(9)16-13/h1-7H,(H,15,16)

Composition: C (51.07%), H (2.64%), Cl (11.59%), N (13.74%), O (10.47%), S (10.49%)

Molar Mass: 305.74

Atom Count: 28

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	305.0025754
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YQLXKPNEVRSMCI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.25
Topological Polar Surface Area	71.82
Polarizability	31.03
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H8ClN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00