4-Methoxy-6-methyl-2-thiopyrone
Basic information
- CAS
52911-98-5- Standard SMILES
COc1cc(C)oc(=S)c1- InChIKey
PVBKLSUHIMQNMY-UHFFFAOYSA-N- Molecular formula
- C7H8O2S
- Average molar mass
- 156.2 g/mol
- Monoisotopic mass
- 156.02450067
Names & identifiers
- Preferred name
- 4-Methoxy-6-methyl-2-thiopyrone
- IUPAC
- 4-methoxy-6-methylpyran-2-thione
Names & synonyms
4-Methoxy-6-methyl-2-thiopyrone52911-98-56-methyl-4-methoxy-2h-pyran-2-thionDTXSID002009624-Methoxy-6-methyl-2H-pyran-2-thione
Database identifiers
- CAS
52911-98-5- PubChem CID
- 142986
- DTXSID
DTXSID00200962
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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