Basic information
- CAS
496879-23-3- Standard SMILES
COc1cn(O)c(=S)c(OC)c1OC- InChIKey
SVIOXJJMYGSOIX-UHFFFAOYSA-N- Molecular formula
- C8H11NO4S
- Average molar mass
- 217.24 g/mol
- Monoisotopic mass
- 217.04087901
Names & identifiers
- Preferred name
- Agn-PC-0mvpco
- IUPAC
- 1-hydroxy-3,4,5-trimethoxypyridine-2-thione
Names & synonyms
AGN-PC-0MVPCO496879-23-3DTXSID904328311-Hydroxy-3,4,5-trimethoxypyridine-2(1H)-thione
Database identifiers
- CAS
496879-23-3- PubChem CID
- 9920826
- DTXSID
DTXSID90432831
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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