3-(2-methoxyphenyl)-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(2-methoxyphenyl)-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C16H11N5O3S

SMILES: COC1=CC=CC=C1C1=NN=C2SC(=NN12)C1=CC=C(C=C1)[N+]([O-])=O

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

InChI: InChI=1S/C16H11N5O3S/c1-24-13-5-3-2-4-12(13)14-17-18-16-20(14)19-15(25-16)10-6-8-11(9-7-10)21(22)23/h2-9H,1H3

Composition: C (54.39%), H (3.14%), N (19.82%), O (13.58%), S (9.07%)

Molar Mass: 353.36

Atom Count: 36

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	353.058260408
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	DGCUHZCPCMRUMV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	134.81
Topological Polar Surface Area	95.45
Polarizability	35.2
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H11N5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00