Basic information
- CAS
68556-22-9- Standard SMILES
CC(=O)CSc1ccco1- InChIKey
VMOQMRASANYFMP-UHFFFAOYSA-N- Molecular formula
- C7H8O2S
- Average molar mass
- 156.2 g/mol
- Monoisotopic mass
- 156.02450067
Names & identifiers
- Preferred name
- 2-Propanone, 1-(2-furanylthio)-
- IUPAC
- 1-(furan-2-ylsulfanyl)propan-2-one
- English name
- 1-(2-furylthio)acetone
- Molecular formula
- C7H8O2S
- Molecular weight
- 156.20222
Names & synonyms
2-Propanone, 1-(2-furanylthio)-68556-22-9EINECS 271-481-42-Furyl-2-oxopropyl thioetherDTXSID8071693RefChem:478551DTXCID80461631-(2-Furylthio)acetone1-(furan-2-ylsulfanyl)propan-2-oneVMOQMRASANYFMP-UHFFFAOYSA-N1-[(Furan-2-yl)sulfanyl]propan-2-oneNS00063024
Show more names
1-(2-Furanylthio)-2-propanone
Database identifiers
- CAS
68556-22-9- PubChem CID
- 110592
- DTXSID
DTXSID8071693- EC Number
- 271-481-4
- Nikkaji
- J309.215A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- LogP
- 1.551 · 1.551 (est)
- EPA Substance Registry System
- 2 · 2-Propanone, 1-(2-furanylthio)- (68556-22-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanone, 1-(2-furanylthio)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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