[2,3-Diacetyloxy-4,5,5-tris(ethylsulfanyl)pentyl] acetate
Basic information
- CAS
6341-08-8- Standard SMILES
CCSC(SCC)C(SCC)C(OC(C)=O)C(COC(C)=O)OC(C)=O- InChIKey
CMWBSVDIXMLWGH-UHFFFAOYSA-N- Molecular formula
- C17H30O6S3
- Average molar mass
- 426.6 g/mol
- Monoisotopic mass
- 426.12045219
Names & identifiers
- Preferred name
- [2,3-Diacetyloxy-4,5,5-tris(ethylsulfanyl)pentyl] acetate
- IUPAC
- [2,3-diacetyloxy-4,5,5-tris(ethylsulfanyl)pentyl] acetate
Names & synonyms
NSC46396NSC-463966341-08-8
Database identifiers
- CAS
6341-08-8- PubChem CID
- 240294
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 440
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Related reactions
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Compound notes
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