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

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

Formula: C14H14N4O2S

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

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

InChI: InChI=1S/C14H14N4O2S/c1-14(2,3)12-15-16-13-18(12)17-11(21-13)8-4-5-9-10(6-8)20-7-19-9/h4-6H,7H2,1-3H3

Composition: C (55.62%), H (4.67%), N (18.53%), O (10.58%), S (10.60%)

Molar Mass: 302.35

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	302.083746881
Formal Charge	0
FSP3	0.36
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	VNYWOCQDVAXLQT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.84
Topological Polar Surface Area	61.54
Polarizability	30.3
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H14N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00