2-[(4-fluorophenyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Basic information
- CAS
764705-07-9- Standard SMILES
COc1ccc(C)cc1NC(=O)CSc1ccc(F)cc1- InChIKey
IXVHQEGKMPTKFK-UHFFFAOYSA-N- Molecular formula
- C16H16FNO2S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.08857809
Names & identifiers
- Preferred name
- 2-[(4-fluorophenyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
- IUPAC
- 2-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
- English name
- Acetamide, 2-[(4-fluorophenyl)thio]-N-(2-methoxy-5-methylphenyl)-
- Molecular formula
- C16H16FNO2S
- Molecular weight
- 305.37
Names & synonyms
2-[(4-fluorophenyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide764705-07-92-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamideAKOS001038898JS-1990Z160348722-((4-Fluorophenyl)thio)-N-(2-methoxy-5-methylphenyl)acetamideAcetamide, 2-[(4-fluorophenyl)thio]-N-(2-methoxy-5-methylphenyl)-
Database identifiers
- CAS
764705-07-9- PubChem CID
- 853702
- EC Number
- 121-691-6
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 451.5 · 451.5±45.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 12.89 · 12.89±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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