Basic information
- CAS
38123-45-4- Standard SMILES
O=C(O)c1cccc(SSc2cccc(C(=O)O)n2)n1- InChIKey
XAVCTYVSLHKLOD-UHFFFAOYSA-N- Molecular formula
- C12H8N2O4S2
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 307.99254909
Names & identifiers
- Preferred name
- 2-Pyridinecarboxylic acid, 6,6'-dithiobis-
- IUPAC
- 6-[(6-carboxy-2-pyridinyl)disulfanyl]pyridine-2-carboxylic acid
Names & synonyms
2-Pyridinecarboxylic acid, 6,6'-dithiobis-38123-45-4SCHEMBL2096971DTXSID101915346,6'-Disulfanediyldi(pyridine-2-carboxylic acid)
Database identifiers
- CAS
38123-45-4- PubChem CID
- 181564
- DTXSID
DTXSID10191534
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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