Basic information
- CAS
77921-34-7- Standard SMILES
CCCCC(C)C(=O)CC(SCC)c1ccc(Cl)c(Cl)c1- InChIKey
NPRSMUDQTFUNGZ-UHFFFAOYSA-N- Molecular formula
- C17H24Cl2OS
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 346.0924919
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-1-(ethylsulfanyl)-4-methyloctan-3-one
- IUPAC
- 1-(3,4-dichlorophenyl)-1-ethylsulfanyl-4-methyloctan-3-one
Names & synonyms
77921-34-7NSC311445DTXSID303171331-(3,4-Dichlorophenyl)-1-(ethylsulfanyl)-4-methyloctan-3-oneNSC-311445
Database identifiers
- CAS
77921-34-7- PubChem CID
- 329352
- DTXSID
DTXSID30317133
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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