(2-Acetyloxy-3-acetylsulfanylpropyl) acetate
Basic information
- CAS
7253-53-4- Standard SMILES
CC(=O)OCC(CSC(C)=O)OC(C)=O- InChIKey
AYIPZDFBNMDHIZ-UHFFFAOYSA-N- Molecular formula
- C9H14O5S
- Average molar mass
- 234.27 g/mol
- Monoisotopic mass
- 234.05619472
Names & identifiers
- Preferred name
- (2-Acetyloxy-3-acetylsulfanylpropyl) acetate
- IUPAC
- (2-acetyloxy-3-acetylsulfanylpropyl) acetate
Names & synonyms
NSC660567253-53-4NSC-66056
Database identifiers
- CAS
7253-53-4- PubChem CID
- 248657
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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