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

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

Formula: C12H9IN4O2S

SMILES: IC1=CC=C(C=C1)N1C(=O)CC(SC2=NNC=N2)C1=O

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

InChI: InChI=1/C12H9IN4O2S/c13-7-1-3-8(4-2-7)17-10(18)5-9(11(17)19)20-12-14-6-15-16-12/h1-4,6,9H,5H2,(H,14,15,16)

Composition: C (36.02%), H (2.27%), I (31.71%), N (14.00%), O (8.00%), S (8.01%)

Molar Mass: 400.19

Atom Count: 29

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	399.94909
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KWCMEZRYDCUVGA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.17
Topological Polar Surface Area	78.95
Polarizability	32.16
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H9IN4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00