Basic information
- CAS
955965-08-9- Standard SMILES
CCOC(=O)c1cnn(-c2nc(-c3cccs3)cs2)c1C(F)(F)F- InChIKey
BLCPJDNZDWSHPX-UHFFFAOYSA-N- Molecular formula
- C14H10F3N3O2S2
- Average molar mass
- 373.4 g/mol
Names & identifiers
- Preferred name
- ethyl 1-[4-(2-thienyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate
- English name
- Ethyl 1-[4-(2-thienyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- Molecular formula
- C14H10F3N3O2S2
- Molecular weight
- 373.37
Names & synonyms
955965-08-9ethyl 1-[4-(2-thienyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateMFCD03305686ethyl 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylateethyl 1-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateC14H10F3N3O2S2AKOS0050908383T-0874ethyl 1-[4-(2-thienyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylateethyl1-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 1-[4-(2-thienyl)-2-thiazolyl]-5-(trifluoromethyl)-, ethyl ester
Database identifiers
- CAS
955965-08-9
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Boiling point
- 512.1 · 512.1±60.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- -1.41 · -1.41±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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