2-[(4-Oxopentyl)sulfanyl]ethyl acetate
Basic information
- CAS
22842-73-5- Standard SMILES
CC(=O)CCCSCCOC(C)=O- InChIKey
LMBUHKSPSKZVHC-UHFFFAOYSA-N- Molecular formula
- C9H16O3S
- Average molar mass
- 204.29 g/mol
- Monoisotopic mass
- 204.08201554
Names & identifiers
- Preferred name
- 2-[(4-Oxopentyl)sulfanyl]ethyl acetate
- IUPAC
- 2-(4-oxopentylsulfanyl)ethyl acetate
Names & synonyms
22842-73-52-[(4-oxopentyl)sulfanyl]ethyl acetateNSC147635DTXSID60301969NSC-147635
Database identifiers
- CAS
22842-73-5- PubChem CID
- 287579
- DTXSID
DTXSID60301969
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…