4-(4-(Trifluoromethyl)phenyl)thiazole
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Basic information
- CAS
939805-20-6- Standard SMILES
FC(F)(F)c1ccc(-c2cscn2)cc1- InChIKey
ZGZFWOKKKQLBAO-UHFFFAOYSA-N- Molecular formula
- C10H6F3NS
- Average molar mass
- 229.22 g/mol
- Monoisotopic mass
- 229.01730486
Names & identifiers
- Preferred name
- 4-(4-(Trifluoromethyl)phenyl)thiazole
- IUPAC
- 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
- English name
- Thiazole, 4-[4-(trifluoromethyl)phenyl]-
- Molecular formula
- C10H6F3NS
- Molecular weight
- 229.22
Names & synonyms
4-(4-(Trifluoromethyl)phenyl)thiazole939805-20-64-[4-(trifluoromethyl)phenyl]-1,3-thiazoleSCHEMBL468050SCHEMBL27719732DTXSID50592566GBWDEWAHEPCDFP-UHFFFAOYSA-NZGZFWOKKKQLBAO-UHFFFAOYSA-N4-(4-Trifluoromethylphenyl)thiazoleAKOS015899675CS-43283Thiazole, 4-[4-(trifluoromethyl)phenyl]-
Show more names
Reaxys ID: 230899364-[4-(Trifluoromethyl)phenyl]thiazole
Database identifiers
- CAS
939805-20-6- PubChem CID
- 18174944
- DTXSID
DTXSID50592566
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 282 · 282.0±35.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.4 · 1.40±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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