Benzeneacetic acid, 2-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester
Basic information
- CAS
18926-44-8- Standard SMILES
CCOC(=O)CSc1ccccc1CC(=O)OCC- InChIKey
MPRGBNKJZUHYOC-UHFFFAOYSA-N- Molecular formula
- C14H18O4S
- Average molar mass
- 282.36 g/mol
- Monoisotopic mass
- 282.09258022
Names & identifiers
- Preferred name
- Benzeneacetic acid, 2-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester
- IUPAC
- ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylphenyl]acetate
Names & synonyms
18926-44-8Benzeneacetic acid, 2-[(2-ethoxy-2-oxoethyl)thio]-, ethyl esterDTXSID40439719Ethyl {[2-(2-ethoxy-2-oxoethyl)phenyl]sulfanyl}acetate
Database identifiers
- CAS
18926-44-8- PubChem CID
- 10423904
- DTXSID
DTXSID40439719
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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