3-butyl-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-butyl-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C14H16N4OS

SMILES: CCCCC1=NN=C2SC(=NN12)C1=CC=CC=C1OC

IUPAC: 3-butyl-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C14H16N4OS/c1-3-4-9-12-15-16-14-18(12)17-13(20-14)10-7-5-6-8-11(10)19-2/h5-8H,3-4,9H2,1-2H3

Composition: C (58.31%), H (5.59%), N (19.43%), O (5.55%), S (11.12%)

Molar Mass: 288.37

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	288.104482325
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XLAOTVJFALQECM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.66
Topological Polar Surface Area	52.31
Polarizability	30.32
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H16N4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00