Molecule ID: 56955918

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

Description: The molecule is a doubly-charged S-alkyl thiosulfate anion obtained by deprotonation of both thiosulfate OH grous of thiosultap. It is a conjugate base 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-1][C][S][S][=Branch1][C][=O][=Branch1][C][=O][O-1]

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)/p-2

Molecular Properties:
- Polar Surface Area: 185.0 Ų
- LogP: -3.5