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

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

Formula: C16H15N3S

SMILES: C(SC1=NN=C(CC2=CC=CC=C2)N1)C1=CC=CC=C1

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

InChI: InChI=1S/C16H15N3S/c1-3-7-13(8-4-1)11-15-17-16(19-18-15)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18,19)

Composition: C (68.30%), H (5.37%), N (14.93%), S (11.39%)

Molar Mass: 281.38

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	281.098668669
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FUQDBRPJJVEGNU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.29
Topological Polar Surface Area	41.57
Polarizability	32.14
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15N3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00