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

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

Formula: C14H8N4O3S

SMILES: C1OC2=CC=C(C=C2O1)C1=NN2C(S1)=NN=C2C1=CC=CO1

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

InChI: InChI=1S/C14H8N4O3S/c1-2-10(19-5-1)12-15-16-14-18(12)17-13(22-14)8-3-4-9-11(6-8)21-7-20-9/h1-6H,7H2

Composition: C (53.84%), H (2.58%), N (17.94%), O (15.37%), S (10.27%)

Molar Mass: 312.3

Atom Count: 30

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	312.031711308
Formal Charge	0
FSP3	0.07
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	YKZDHLPJIKLMDU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.19
Topological Polar Surface Area	74.68
Polarizability	30.19
Ring Count	5
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H8N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00