12-(Ethylthio)dodecanoic acid
Basic information
- CAS
186093-30-1- Standard SMILES
CCSCCCCCCCCCCCC(=O)O- InChIKey
DSQBWINXXHAPMB-UHFFFAOYSA-N- Molecular formula
- C14H28O2S
- Average molar mass
- 260.44 g/mol
- Monoisotopic mass
- 260.18100131
Names & identifiers
- Preferred name
- 12-(Ethylthio)dodecanoic acid
- IUPAC
- 12-ethylsulfanyldodecanoic acid
Names & synonyms
12-(Ethylthio)dodecanoic acidNSC66037412-ethylsulfanyldodecanoic acid186093-30-112-(ETHYLSULFANYL)DODECANOIC ACIDSCHEMBL2834931CHEMBL1760728DTXSID10327497NSC-660374
Database identifiers
- CAS
186093-30-1- PubChem CID
- 378339
- DTXSID
DTXSID10327497- ChEMBL
CHEMBL1760728- Nikkaji
- J813.529K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 172
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Compound notes
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