1-(3,4-Dichlorophenyl)-1-(2-sulfanylethylsulfanyl)nonan-3-one
Basic information
- CAS
75144-09-1- Standard SMILES
CCCCCCC(=O)CC(SCCS)c1ccc(Cl)c(Cl)c1- InChIKey
FLVMMGCAVATZJZ-UHFFFAOYSA-N- Molecular formula
- C17H24Cl2OS2
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 378.0645631
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-1-(2-sulfanylethylsulfanyl)nonan-3-one
- IUPAC
- 1-(3,4-dichlorophenyl)-1-(2-sulfanylethylsulfanyl)nonan-3-one
Names & synonyms
1-(3,4-dichlorophenyl)-1-(2-sulfanylethylsulfanyl)nonan-3-one75144-09-1NSC302630DTXSID70316362NSC-302630DS-0080081-(3,4-Dichlorophenyl)-1-[(2-sulfanylethyl)sulfanyl]nonan-3-one
Database identifiers
- CAS
75144-09-1- PubChem CID
- 327465
- DTXSID
DTXSID70316362
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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