2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

Formula: C16H16N2OS

SMILES: CC1=CC=CC=C1OCCSC1=NC2=CC=CC=C2N1

IUPAC: 2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

InChI: InChI=1S/C16H16N2OS/c1-12-6-2-5-9-15(12)19-10-11-20-16-17-13-7-3-4-8-14(13)18-16/h2-9H,10-11H2,1H3,(H,17,18)

Composition: C (67.58%), H (5.67%), N (9.85%), O (5.63%), S (11.27%)

Molar Mass: 284.38

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	284.098334317
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AAPVCQWLJSSUGW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83
Topological Polar Surface Area	37.91
Polarizability	33.47
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H16N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00