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

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

Formula: C18H16N4OS

SMILES: CCOC1=CC=C(C=C1)C1=NN2C(CC3=CC=CC=C3)=NN=C2S1

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

InChI: InChI=1S/C18H16N4OS/c1-2-23-15-10-8-14(9-11-15)17-21-22-16(19-20-18(22)24-17)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

Composition: C (64.27%), H (4.79%), N (16.65%), O (4.76%), S (9.53%)

Molar Mass: 336.41

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	336.104482325
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WESOCVPPWYOVNT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	127.3
Topological Polar Surface Area	52.31
Polarizability	36.21
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16N4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00