Molecule ID: 35970

IUPAC Name: N,N-dimethyltrithian-5-amine

Description: The molecule is an organosulfur heterocyclic compound that is 1,2,3-trithiane in which one of the hydrogens at position 5 has been replaced by a dimethylamino group. A nicotinic acetylcholine receptor agonist, it was used (particularly as its hydrogen oxalate salt, known as thyocyclam oxalate) as a broad-spectrum insecticide, but it is also toxic to bees, fish and other aquatic organisms. It is not approved for use within the European Union. It has a role as an agrochemical and a nicotinic acetylcholine receptor agonist. It is a nereistoxin analogue insecticide and an organosulfur heterocyclic compound. It is a conjugate base of a thiocyclam(1+). It derives from a hydride of a 1,2,3-trithiane.

SMILES: CN(C)C1CSSSC1

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

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

Molecular Properties:
- Polar Surface Area: 79.1 Ų
- LogP: 1.2