Basic information
- CAS
65322-14-7- Standard SMILES
COC1=CS(C)(=O)=CC(SC)=C1C#N- InChIKey
HFPBHRDZBUCMHI-UHFFFAOYSA-N- Molecular formula
- C9H11NO2S2
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 229.02312094
Names & identifiers
- Preferred name
- 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile
- IUPAC
- 3-methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile
Names & synonyms
65322-14-73-methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrileNSC304442DTXSID30316540NSC-3044423-Methoxy-1-methyl-5-(methylsulfanyl)-1-oxo-1lambda~6~-thiopyran-4-carbonitrile
Database identifiers
- CAS
65322-14-7- PubChem CID
- 327802
- DTXSID
DTXSID30316540
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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