3-(benzylsulfanyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole

3-(benzylsulfanyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole

Formula: C16H15N3OS

SMILES: COC1=CC=C(C=C1)C1=NC(SCC2=CC=CC=C2)=NN1

IUPAC: 3-(benzylsulfanyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole

InChI: InChI=1S/C16H15N3OS/c1-20-14-9-7-13(8-10-14)15-17-16(19-18-15)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18,19)

Composition: C (64.62%), H (5.08%), N (14.13%), O (5.38%), S (10.78%)

Molar Mass: 297.38

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	297.093583289
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	TVJONTNYQQWZMH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.85
Topological Polar Surface Area	50.8
Polarizability	33.56
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00