3-benzyl-6-(4-chlorophenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-benzyl-6-(4-chlorophenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C17H13ClN4OS

SMILES: ClC1=CC=C(OCC2=NN3C(CC4=CC=CC=C4)=NN=C3S2)C=C1

IUPAC: 3-benzyl-6-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C17H13ClN4OS/c18-13-6-8-14(9-7-13)23-11-16-21-22-15(19-20-17(22)24-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2

Composition: C (57.22%), H (3.67%), Cl (9.93%), N (15.70%), O (4.48%), S (8.98%)

Molar Mass: 356.83

Atom Count: 37

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	356.0498599
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XBSADQDUQCYXDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.2
Topological Polar Surface Area	52.31
Polarizability	35.59
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H13ClN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00