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

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

Formula: C16H11FN4S

SMILES: FC1=CC=CC(=C1)C1=NN2C(CC3=CC=CC=C3)=NN=C2S1

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

InChI: InChI=1S/C16H11FN4S/c17-13-8-4-7-12(10-13)15-20-21-14(18-19-16(21)22-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2

Composition: C (61.92%), H (3.57%), F (6.12%), N (18.05%), S (10.33%)

Molar Mass: 310.35

Atom Count: 33

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	310.068845707
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PNWUINLNMCZQFI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.31
Topological Polar Surface Area	43.08
Polarizability	31.53
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H11FN4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00