Basic information
- CAS
61830-35-1- Standard SMILES
COC(=O)c1ncccc1S(C)=O- InChIKey
DXYQJFBHNDMZDY-UHFFFAOYSA-N- Molecular formula
- C8H9NO3S
- Average molar mass
- 199.23 g/mol
- Monoisotopic mass
- 199.03031432
Names & identifiers
- Preferred name
- Methyl 3-(methanesulfinyl)pyridine-2-carboxylate
- IUPAC
- methyl 3-methylsulfinylpyridine-2-carboxylate
Names & synonyms
61830-35-1Methyl 3-(methanesulfinyl)pyridine-2-carboxylateDTXSID80494105
Database identifiers
- CAS
61830-35-1- PubChem CID
- 12361237
- DTXSID
DTXSID80494105
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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