Molecule ID: 115224

IUPAC Name: [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

Description: The molecule is a nitrile that is cyanamide in which the hydrogens are replaced by a 1,3-thiazolidin-2-ylidene group which in turn is substituted by a (6-chloropyridin-3-yl)methyl group at the ring nitrogen. It has a role as a xenobiotic, an environmental contaminant and a neonicotinoid insectide. It is a member of thiazolidines, a nitrile and a monochloropyridine. It derives from a 2-chloropyridine and a cyanamide.

SMILES: N#CN=C1SCCN1Cc1ccc(Cl)nc1

SELFIES: [N][#C][N][=C][S][C][C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]

InChI: InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2

Molecular Properties:
- Polar Surface Area: 77.6 Ų
- LogP: 2.2