S-heptyl dodecanethioate
Basic information
- CAS
2307-13-3- Standard SMILES
CCCCCCCCCCCC(=O)SCCCCCCC- InChIKey
LSZFTMLCWDMCQP-UHFFFAOYSA-N- Molecular formula
- C19H38OS
- Average molar mass
- 314.6 g/mol
- Monoisotopic mass
- 314.264337
Names & identifiers
- Preferred name
- S-heptyl dodecanethioate
- IUPAC
- S-heptyl dodecanethioate
Names & synonyms
S-heptyl dodecanethioateDTXSID701030875thio-dodecanoic acid S-heptyl ester2307-13-3
Database identifiers
- CAS
2307-13-3- PubChem CID
- 129658552
- DTXSID
DTXSID701030875
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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