Basic information
- CAS
35143-10-3- Standard SMILES
CCOC(=O)C1CSc2ccccc2O1- InChIKey
IZHRLFUYIQORDV-UHFFFAOYSA-N- Molecular formula
- C11H12O3S
- Average molar mass
- 224.28 g/mol
- Monoisotopic mass
- 224.05071541
Names & identifiers
- Preferred name
- Ethyl 2,3-dihydro-1,4-benzoxathiine-2-carboxylate
- IUPAC
- ethyl 2,3-dihydro-1,4-benzoxathiine-2-carboxylate
Names & synonyms
35143-10-3Ethyl 2,3-dihydro-1,4-benzoxathiine-2-carboxylateDTXSID50539855RefChem:342180DTXCID80490642SCHEMBL2483815
Database identifiers
- CAS
35143-10-3- PubChem CID
- 13408917
- DTXSID
DTXSID50539855
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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