Acetic acid, (octylthio)-, ethyl ester
Basic information
- CAS
2879-02-9- Standard SMILES
CCCCCCCCSCC(=O)OCC- InChIKey
CXFNGTDPBXDLGP-UHFFFAOYSA-N- Molecular formula
- C12H24O2S
- Average molar mass
- 232.38 g/mol
- Monoisotopic mass
- 232.14970118
Names & identifiers
- Preferred name
- Acetic acid, (octylthio)-, ethyl ester
- IUPAC
- ethyl 2-octylsulfanylacetate
Names & synonyms
Acetic acid, (octylthio)-, ethyl ester2879-02-9DTXSID30447722RefChem:316335DTXCID30398543Ethyl (octylsulfanyl)acetateSCHEMBL17785152
Database identifiers
- CAS
2879-02-9- PubChem CID
- 10900511
- DTXSID
DTXSID30447722
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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