Methyl 1-methyl-6-sulfanylidenepyridine-2-carboxylate
Basic information
- CAS
87151-08-4- Standard SMILES
COC(=O)c1cccc(=S)n1C- InChIKey
DCCVMIFDKLDIIX-UHFFFAOYSA-N- Molecular formula
- C8H9NO2S
- Average molar mass
- 183.23 g/mol
- Monoisotopic mass
- 183.0353997
Names & identifiers
- Preferred name
- Methyl 1-methyl-6-sulfanylidenepyridine-2-carboxylate
- IUPAC
- methyl 1-methyl-6-sulfanylidenepyridine-2-carboxylate
Names & synonyms
87151-08-4methyl 1-methyl-6-thioxo-1,6-dihydro-2-pyridinecarboxylate2-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-thioxo-, methyl esterAJ-333/13050155methyl 1-methyl-6-sulfanylidenepyridine-2-carboxylateDTXSID10358544Methyl 1-methyl-6-sulfanylidene-1,6-dihydropyridine-2-carboxylate
Database identifiers
- CAS
87151-08-4- PubChem CID
- 901952
- DTXSID
DTXSID10358544
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 281
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Compound notes
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