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

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

Formula: C16H15ClN2OS

SMILES: CCOC1=CC=C2NC(SCC3=CC=C(Cl)C=C3)=NC2=C1

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

InChI: InChI=1S/C16H15ClN2OS/c1-2-20-13-7-8-14-15(9-13)19-16(18-14)21-10-11-3-5-12(17)6-4-11/h3-9H,2,10H2,1H3,(H,18,19)

Composition: C (60.28%), H (4.74%), Cl (11.12%), N (8.79%), O (5.02%), S (10.06%)

Molar Mass: 318.82

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	318.059362
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GNIVURAABWVKIS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.88
Topological Polar Surface Area	37.91
Polarizability	35.37
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15ClN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00