Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate
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Basic information
- CAS
339101-32-5- Standard SMILES
CCOC(=O)CSc1ncc(-c2cccc(C(F)(F)F)c2)cn1- InChIKey
UOUAPOAILXLAQY-UHFFFAOYSA-N- Molecular formula
- C15H13F3N2O2S
- Average molar mass
- 342.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate
- IUPAC
- ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate
- English name
- Ethyl 2-((5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl)sulfanyl)acetate
- Molecular formula
- C15H13F3N2O2S
- Molecular weight
- 342.34
Names & synonyms
339101-32-5ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetateEthyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)acetateethyl 2-({5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl}sulfanyl)acetateMFCD00243491ethyl 2-({5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}sulfanyl)acetateAKOS0051027008J-502SEthyl 2-((5-(3-(trifluoromethyl)phenyl)pyrimidin-2-yl)thio)acetateethyl2-({5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}sulfanyl)acetateEthyl 2-((5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl)sulfanyl)acetateAcetic acid, 2-[[5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl]thio]-, ethyl ester
Database identifiers
- CAS
339101-32-5
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 434.2 · 434.2±45.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- -0.81 · -0.81±0.42(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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