Basic information
- CAS
78429-69-3- Standard SMILES
CSC(C)=CC(C)=O- InChIKey
JEVVTPRSFIWIPW-UHFFFAOYSA-N- Molecular formula
- C6H10OS
- Average molar mass
- 130.21 g/mol
Names & identifiers
- Preferred name
- 4-Methylsulfanylpent-3-en-2-one
- IUPAC
- 4-methylsulfanylpent-3-en-2-one
- English name
- 3-Penten-2-one, 4-(methylthio)- (9CI)
- Molecular formula
- C6H10OS
- Molecular weight
- 130.21
Names & synonyms
4-methylsulfanyl-pent-3-en-2-one3-Penten-2-one, 4-(methylthio)- (9CI)
Database identifiers
- CAS
78429-69-3
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 208.4 · 208.400±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.986 · 0.986±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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