Molecule ID: 35969

IUPAC Name: N,N-dimethyltrithian-5-amine;oxalic acid

Description: The molecule is an oxalate salt resulting from the formal reaction of equimolar amounts of thiocyclam and oxalic acid. A nicotinic acetylcholine receptor agonist, it was used as a broad-spectrum insecticide. It is not approved for use within the European Union. It has a role as an agrochemical, a nicotinic acetylcholine receptor agonist and an insecticide. It contains a thiocyclam(1+) and an oxalate(1-).

SMILES: CN(C)C1CSSSC1.O=C(O)C(=O)O

SELFIES: [C][N][Branch1][C][C][C][C][S][S][S][C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)

Molecular Properties:
- Polar Surface Area: 154.0 Ų
- LogP: nan