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

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

Formula: C12H10N4O2S

SMILES: CCC1=NN=C2SC(=NN12)C1=CC=C2OCOC2=C1

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

InChI: InChI=1S/C12H10N4O2S/c1-2-10-13-14-12-16(10)15-11(19-12)7-3-4-8-9(5-7)18-6-17-8/h3-5H,2,6H2,1H3

Composition: C (52.55%), H (3.67%), N (20.43%), O (11.67%), S (11.69%)

Molar Mass: 274.3

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	274.052446752
Formal Charge	0
FSP3	0.25
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	NEMDJFKZROCUEV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.76
Topological Polar Surface Area	61.54
Polarizability	26.63
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H10N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00