Basic information
- CAS
7621-99-0- Standard SMILES
CCOC(=O)CSC1=CC(C)OC(C)=C1- InChIKey
VWLOVBFPAJXUQW-UHFFFAOYSA-N- Molecular formula
- C11H16O3S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.08201554
Names & identifiers
- Preferred name
- ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate
- IUPAC
- ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate
Names & synonyms
ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetateDTXSID60331266Ethyl [(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate
Database identifiers
- CAS
7621-99-0- PubChem CID
- 436804
- DTXSID
DTXSID60331266
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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