1-(3,5-dimethoxyphenyl)-3-(1H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione

1-(3,5-dimethoxyphenyl)-3-(1H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione

Formula: C14H14N4O4S

SMILES: COC1=CC(=CC(OC)=C1)N1C(=O)CC(SC2=NNC=N2)C1=O

IUPAC: 1-(3,5-dimethoxyphenyl)-3-(1H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione

InChI: InChI=1/C14H14N4O4S/c1-21-9-3-8(4-10(5-9)22-2)18-12(19)6-11(13(18)20)23-14-15-7-16-17-14/h3-5,7,11H,6H2,1-2H3,(H,15,16,17)

Composition: C (50.29%), H (4.22%), N (16.76%), O (19.14%), S (9.59%)

Molar Mass: 334.35

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	334.073576121
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	NYZXCJNMENRVTR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.73
Topological Polar Surface Area	97.41
Polarizability	31.98
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H14N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00