Basic information
- CAS
339015-71-3- Standard SMILES
CS(=O)(=O)c1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1- InChIKey
AUDVCYCUSWEOBP-UHFFFAOYSA-N- Molecular formula
- C16H11F3N2O3S
- Average molar mass
- 368.3 g/mol
Names & identifiers
- Preferred name
- Methyl 2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone
- IUPAC
- 5-(2-methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
- English name
- 5-[2-(Methylsulfonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
- Molecular formula
- C16H11F3N2O3S
- Molecular weight
- 368.33
Names & synonyms
339015-71-3methyl 2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone5-(2-methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole5-(2-methanesulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazoleBionet1_002343HMS575B05AKOS0051010697L-573S5-(2-(Methylsulfonyl)phenyl)-3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazoleMETHYL 2-(3-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOL-5-YL)PHENYL SULFONE5-[2-(Methylsulfonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole1,2,4-Oxadiazole, 5-[2-(methylsulfonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
339015-71-3
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- Boiling point
- 534.1 · 534.1±60.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
- pka
- -3.8 · -3.80±0.43(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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