6-[(1E)-2-(furan-2-yl)ethenyl]-3-[(phenylsulfanyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(1E)-2-(furan-2-yl)ethenyl]-3-[(phenylsulfanyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C16H12N4OS2

SMILES: C(SC1=CC=CC=C1)C1=NN=C2SC(C=CC3=CC=CO3)=NN12

IUPAC: 6-[(1E)-2-(furan-2-yl)ethenyl]-3-[(phenylsulfanyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C16H12N4OS2/c1-2-6-13(7-3-1)22-11-14-17-18-16-20(14)19-15(23-16)9-8-12-5-4-10-21-12/h1-10H,11H2/b9-8+

Composition: C (56.45%), H (3.55%), N (16.46%), O (4.70%), S (18.84%)

Molar Mass: 340.42

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	340.04525337
Formal Charge	0
FSP3	0.06
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MYDWHYXPYMBPAE-CMDGGOBGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.92
Topological Polar Surface Area	56.22
Polarizability	34.63
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H12N4OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00