Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCSCCC(=O)OCC- InChIKey
WGSLDWALDWIZQU-UHFFFAOYSA-N- Molecular formula
- C21H42O2S
- Average molar mass
- 358.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(hexadecylthio)propanoate
- IUPAC
- ethyl 3-hexadecylsulfanylpropanoate
Names & synonyms
SCHEMBL9496204ethyl 3-(hexadecylthio)propanoateEthyl 3 (hexadecylthio)propanoateWGSLDWALDWIZQU-UHFFFAOYSA-N3-(Hexadecylthio)propanoic acid, ethyl ester
Database identifiers
- PubChem CID
- 19764352
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 20
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 256
Related reactions
10 records
Compound notes
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