S-methylthiodecanoate
Basic information
- CAS
1680-29-1- Standard SMILES
CCCCCCCCCC(=O)SC- InChIKey
ZEBQAJHDEMWJOU-UHFFFAOYSA-N- Molecular formula
- C11H22OS
- Average molar mass
- 202.36 g/mol
- Monoisotopic mass
- 202.13913649
Names & identifiers
- Preferred name
- S-methylthiodecanoate
- IUPAC
- S-methyl decanethioate
Names & synonyms
S-methylthiodecanoate1680-29-1DTXSID80423910RefChem:379566DTXCID50374748ZEBQAJHDEMWJOU-UHFFFAOYSA-NS-methyl decanethioateSCHEMBL13636538
Database identifiers
- CAS
1680-29-1- PubChem CID
- 6429307
- DTXSID
DTXSID80423910- Nikkaji
- J720.673I
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 123
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Related reactions
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Compound notes
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