2-(Trifluoromethyl)thiazole-4-carboxylic acid - CAS 915030-08-9
Catalog: |
BB040218 |
Product Name: |
2-(Trifluoromethyl)thiazole-4-carboxylic acid |
CAS: |
915030-08-9 |
Synonyms: |
2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid |
Description: | 2-(Trifluoromethyl)thiazole-4-carboxylic acid (CAS# 915030-08-9) is a useful research chemical. |
Molecular Weight: | 197.14 |
Molecular Formula: | C5H2F3NO2S |
Canonical SMILES: | C1=C(N=C(S1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C5H2F3NO2S/c6-5(7,8)4-9-2(1-12-4)3(10)11/h1H,(H,10,11) |
InChI Key: | KPPCPQREZHKKRA-UHFFFAOYSA-N |
Boiling Point: | 224.586 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.668 g/cm3 |
MDL: | MFCD09258845 |
LogP: | 1.86010 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020150626-A1 | Imidazo[1,2-a]pyridinyl derivatives as irak4 inhibitors | 20190118 |
WO-2020132459-A1 | Quinolinyl-pyrazine-carboxamide compounds and uses thereof | 20181220 |
CA-3106438-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
US-2021292324-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
US-10669272-B2 | Substituted naphthyridinone compounds useful as T cell activators | 20180627 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.97583397 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.97583397 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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