6-(2H-1,3-benzodioxol-5-yl)-3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2H-1,3-benzodioxol-5-yl)-3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C17H12N4O2S

SMILES: C(C1=NN=C2SC(=NN12)C1=CC=C2OCOC2=C1)C1=CC=CC=C1

IUPAC: 6-(2H-1,3-benzodioxol-5-yl)-3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C17H12N4O2S/c1-2-4-11(5-3-1)8-15-18-19-17-21(15)20-16(24-17)12-6-7-13-14(9-12)23-10-22-13/h1-7,9H,8,10H2

Composition: C (60.70%), H (3.60%), N (16.66%), O (9.51%), S (9.53%)

Molar Mass: 336.37

Atom Count: 36

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	336.068096816
Formal Charge	0
FSP3	0.12
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	WZGKYBPDQNIVHB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	121.86
Topological Polar Surface Area	61.54
Polarizability	34.34
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H12N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00