2,4-Dimercaptopentanedioic acid
Basic information
- CAS
70628-94-3- Standard SMILES
O=C(O)C(S)CC(S)C(=O)O- InChIKey
DFOTUIOEKZIQQZ-UHFFFAOYSA-N- Molecular formula
- C5H8O4S2
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 195.98640108
Names & identifiers
- Preferred name
- 2,4-Dimercaptopentanedioic acid
- IUPAC
- 2,4-bis(sulfanyl)pentanedioic acid
Names & synonyms
70628-94-32,4-Dimercaptopentanedioic acidPentanedioic acid, 2,4-dimercapto-MethylenbisthioglykolsaureSCHEMBL3093445DTXSID509908463-Deoxy-2,4-dithiopentaric acid
Database identifiers
- CAS
70628-94-3- PubChem CID
- 155386
- DTXSID
DTXSID50990846- Nikkaji
- J208.677H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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