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

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

Formula: C20H20N4S

SMILES: CC(C)(C)C1=CC=C(C=C1)C1=NN2C(CC3=CC=CC=C3)=NN=C2S1

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

InChI: InChI=1S/C20H20N4S/c1-20(2,3)16-11-9-15(10-12-16)18-23-24-17(21-22-19(24)25-18)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3

Composition: C (68.94%), H (5.79%), N (16.08%), S (9.20%)

Molar Mass: 348.47

Atom Count: 45

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	348.140867834
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GDZOKUZOPXWQCA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	134.76
Topological Polar Surface Area	43.08
Polarizability	39.15
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H20N4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00