Basic information
- CAS
40645-26-9- Standard SMILES
O=C(COc1ccc(Cl)cc1)C1CSc2ccc3ccccc3c21- InChIKey
LEOKJORDWYZFQL-UHFFFAOYSA-N- Molecular formula
- C20H15ClO2S
- Average molar mass
- 354.8 g/mol
- Monoisotopic mass
- 354.0481286
Names & identifiers
- Preferred name
- 2-(4-Chlorophenoxy)-1-(1,2-dihydrobenzo[e][1]benzothiol-1-yl)ethanone
- IUPAC
- 2-(4-chlorophenoxy)-1-(1,2-dihydrobenzo[e][1]benzothiol-1-yl)ethanone
Names & synonyms
40645-26-92-(4-chlorophenoxy)-1-(1,2-dihydrobenzo[e][1]benzothiol-1-yl)ethanoneNSC153361DTXSID70302760NSC-1533612-(4-Chlorophenoxy)-1-(1,2-dihydronaphtho[2,1-b]thiophen-1-yl)ethan-1-one
Database identifiers
- CAS
40645-26-9- PubChem CID
- 290263
- DTXSID
DTXSID70302760
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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