Basic information
- CAS
3613-80-7- Standard SMILES
Cc1ncc(CS)c(CS)c1O- InChIKey
WRMLOOFXWYUWNA-UHFFFAOYSA-N- Molecular formula
- C8H11NOS2
- Average molar mass
- 201.3 g/mol
- Monoisotopic mass
- 201.02820632
Names & identifiers
- Preferred name
- 4',5'-Dithiopyridoxine
- IUPAC
- 2-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol
- English name
- 4,5-Bis(mercaptomethyl)-2-methyl-3-pyridinol
- Molecular weight
- 0
Names & synonyms
4',5'-Dithiopyridoxine3-Pyridinol, 4,5-bis(mercaptomethyl)-2-methyl-3613-80-74,5-Dimercapto-pyridoxinKF7TZ3QTK44,5-Dimercapto-pyridoxin [German]NSC 488475-Hydroxy-6-methyl-3,4-pyridinedimethanethiolBRN 01408134,5-DIMERCAPTOPYRIDOXINE4,5-Bis(mercaptomethyl)-2-methyl-3-pyridinolUNII-KF7TZ3QTK4
Show more names
4,5-Bis(mercaptomethyl)-2-methylpyridin-3-ol
NSC-488472-Methyl-3-hydroxy-4,5-dimercaptomethyl-pyridin [German]DTXSID801897062-Methyl-3-hydroxy-4,5-dimercaptomethyl-pyridin5-21-05-00503 (Beilstein Handbook Reference)RefChem:198428DTXCID001121972-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol
Database identifiers
- CAS
3613-80-7- PubChem CID
- 96027
- DTXSID
DTXSID80189706- UNII
- KF7TZ3QTK4
- Nikkaji
- J14.520C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- FDA UNII
- 7 TZ3QTK4 · KF7TZ3QTK4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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