5-Methyl-3-[(phenylsulfanyl)methyl]furan-2(5H)-one
Basic information
- CAS
135447-03-9- Standard SMILES
CC1C=C(CSc2ccccc2)C(=O)O1- InChIKey
HPKNHKJIIQYOEI-UHFFFAOYSA-N- Molecular formula
- C12H12O2S
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.05580079
Names & identifiers
- Preferred name
- 5-Methyl-3-[(phenylsulfanyl)methyl]furan-2(5H)-one
- IUPAC
- 2-methyl-4-(phenylsulfanylmethyl)-2H-furan-5-one
Names & synonyms
135447-03-95-Methyl-3-[(phenylsulfanyl)methyl]furan-2(5H)-oneDTXSID80579082
Database identifiers
- CAS
135447-03-9- PubChem CID
- 15880433
- DTXSID
DTXSID80579082- Nikkaji
- J1.377.006I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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