Trimethyl 6-(ethylsulfanyl)hexane-1,3,5-tricarboxylate
Basic information
- CAS
92372-00-4- Standard SMILES
CCSCC(CC(CCC(=O)OC)C(=O)OC)C(=O)OC- InChIKey
SWKZXBYXUDCATA-UHFFFAOYSA-N- Molecular formula
- C14H24O6S
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.12935965
Names & identifiers
- Preferred name
- Trimethyl 6-(ethylsulfanyl)hexane-1,3,5-tricarboxylate
- IUPAC
- trimethyl 6-ethylsulfanylhexane-1,3,5-tricarboxylate
Names & synonyms
92372-00-4trimethyl 6-(ethylsulfanyl)hexane-1,3,5-tricarboxylateNSC131603DTXSID50299609NSC-131603
Database identifiers
- CAS
92372-00-4- PubChem CID
- 280180
- DTXSID
DTXSID50299609
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
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Related reactions
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Compound notes
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