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Basic information
- CAS
61363-53-9- Standard SMILES
CC1C(=O)CSCC1=O- InChIKey
HJKPKJUBEOHVRL-UHFFFAOYSA-N- Molecular formula
- C6H8O2S
- Average molar mass
- 144.19 g/mol
- Monoisotopic mass
- 144.0245005
Names & identifiers
- Preferred name
- 4-Methylthiane-3,5-dione
- IUPAC
- 4-methylthiane-3,5-dione
Names & synonyms
61363-53-94-methylthiane-3,5-dioneNSC293909SCHEMBL8162046DTXSID00315303HJKPKJUBEOHVRL-UHFFFAOYSA-N4-methyltetrahydrothiopyran-3,5-dioneNSC-293909
Database identifiers
- CAS
61363-53-9- PubChem CID
- 325343
- DTXSID
DTXSID00315303
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 137
Related reactions
3 records
Compound notes
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