Molecule ID: 127198

IUPAC Name: 2-(dimethylamino)-1,3-bis(sulfosulfanyl)propane

Description: The molecule is a nereistoxin analogue insecticide that is 2-(dimethylamino)propane-1,3-dithiol with both sulfhydryls bearing sulfate groups. It is a conjugate acid of a thiosultap(1-).

SMILES: CN(C)C(CSS(=O)(=O)O)CSS(=O)(=O)O

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

InChI: InChI=1S/C5H13NO6S4/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12)

Molecular Properties:
- Polar Surface Area: 179.0 Ų
- LogP: -3.3