5-chloro-2-(methylsulfanyl)-N-(2,4,6-trichlorophenyl)benzamide
Basic information
- CAS
633322-51-7- Standard SMILES
CSc1ccc(Cl)cc1C(=O)Nc1c(Cl)cc(Cl)cc1Cl- InChIKey
XEZQHIWCBJRBTN-UHFFFAOYSA-N- Molecular formula
- C14H9Cl4NOS
- Average molar mass
- 381.1 g/mol
- Monoisotopic mass
- 378.915896
Names & identifiers
- Preferred name
- 5-chloro-2-(methylsulfanyl)-N-(2,4,6-trichlorophenyl)benzamide
- IUPAC
- 5-chloro-2-methylsulfanyl-N-(2,4,6-trichlorophenyl)benzamide
- English name
- 5-Chloro-2-(methylsulfanyl)-N-(2,4,6-trichlorophenyl)benzamide
- Molecular formula
- C14H9Cl4NOS
- Molecular weight
- 381.11
Names & synonyms
5-chloro-2-(methylsulfanyl)-N-(2,4,6-trichlorophenyl)benzamideAKOS024408875Benzamide, 5-chloro-2-(methylthio)-N-(2,4,6-trichlorophenyl)-
Database identifiers
- CAS
633322-51-7- PubChem CID
- 4097733
- EC Number
- 126-505-7
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 417.509 · 417.509±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.553 · 1.553±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.802 · 9.802±0.70(predicted)
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Compound notes
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