S-Decyl ethanethioate
Basic information
- CAS
1534-09-4- Standard SMILES
CCCCCCCCCCSC(C)=O- InChIKey
QOBXPHDQCFZNIF-UHFFFAOYSA-N- Molecular formula
- C12H24OS
- Average molar mass
- 216.39 g/mol
- Monoisotopic mass
- 216.15478656
Names & identifiers
- Preferred name
- S-Decyl ethanethioate
- IUPAC
- S-decyl ethanethioate
Names & synonyms
S-Decyl ethanethioateDecanethiol, acetate1534-09-4S-Decyl ethanethioate #ethanethioic acid S-decyl esterSCHEMBL14611674DTXSID00336831QOBXPHDQCFZNIF-UHFFFAOYSA-N
Database identifiers
- CAS
1534-09-4- PubChem CID
- 536602
- DTXSID
DTXSID00336831- Nikkaji
- J1.033.174I
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 134
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Related reactions
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Compound notes
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