6-[(1E)-2-(4-nitrophenyl)ethenyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(1E)-2-(4-nitrophenyl)ethenyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C14H13N5O2S

SMILES: CCCC1=NN=C2SC(C=CC3=CC=C(C=C3)[N+]([O-])=O)=NN12

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

InChI: InChI=1S/C14H13N5O2S/c1-2-3-12-15-16-14-18(12)17-13(22-14)9-6-10-4-7-11(8-5-10)19(20)21/h4-9H,2-3H2,1H3/b9-6+

Composition: C (53.32%), H (4.16%), N (22.21%), O (10.15%), S (10.17%)

Molar Mass: 315.35

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	315.078995853
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	SSQCMEVHUPPZHN-RMKNXTFCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.67
Topological Polar Surface Area	86.22
Polarizability	30.64
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H13N5O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00