Basic information
- CAS
3811-62-9- Standard SMILES
O=S(=O)(O)C(CS)CS- InChIKey
OEIREMSMLSZFFS-UHFFFAOYSA-N- Molecular formula
- C3H8O3S3
- Average molar mass
- 188.3 g/mol
- Monoisotopic mass
- 187.96355763
Names & identifiers
- Preferred name
- 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt
- IUPAC
- 1,3-bis(sulfanyl)propane-2-sulfonic acid
Names & synonyms
Isounithiol2-Propanesulfonic acid, 1,3-dimercapto-, sodium salt1,3-Dimercapto-2-propanesulfonic acid sodium salt3811-62-9DTXSID00191523RefChem:265529DTXCID401140142-Propanesulfonic acid, 1,3-dimercapto-1,3-bis(sulfanyl)propane-2-sulfonic acidSCHEMBL88958451,3-dimercaptopropane-2-sulfonic acid
Database identifiers
- CAS
3811-62-9- PubChem CID
- 199176
- DTXSID
DTXSID00191523
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…