Basic information
- CAS
339100-10-6- Standard SMILES
O=C(NCCSc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl- InChIKey
AAAWENPFPLZWSK-UHFFFAOYSA-N- Molecular formula
- C15H12Cl3NOS
- Average molar mass
- 360.7 g/mol
Names & identifiers
- Preferred name
- 2,4-dichloro-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
- IUPAC
- 2,4-dichloro-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
- English name
- 2,4-Dichloro-N-(2-[(4-chlorophenyl)sulfanyl]ethyl)benzenecarboxamide
- Molecular formula
- C15H12Cl3NOS
- Molecular weight
- 360.69
Names & synonyms
339100-10-62,4-dichloro-N-{2-[(4-chlorophenyl)sulfanyl]ethyl}benzamide2,4-dichloro-N-[2-(4-chlorophenyl)sulfanylethyl]benzamideBionet1_001800HMS573F22AKOS0051035128L-545SZ895140812,4-Dichloro-N-(2-((4-chlorophenyl)thio)ethyl)benzamideBenzamide, 2,4-dichloro-N-[2-[(4-chlorophenyl)thio]ethyl]-2,4-Dichloro-N-(2-[(4-chlorophenyl)sulfanyl]ethyl)benzenecarboxamide
Database identifiers
- CAS
339100-10-6
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 497.9 · 497.9±45.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 12.77 · 12.77±0.46(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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