Ethyl 2-Amino-4-(trifluoromethyl)thiazole-5-carboxylate - CAS 344-72-9
Catalog: |
BB022152 |
Product Name: |
Ethyl 2-Amino-4-(trifluoromethyl)thiazole-5-carboxylate |
CAS: |
344-72-9 |
Synonyms: |
2-amino-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester; ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
IUPAC Name: | ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
Description: | Ethyl 2-Amino-4-(trifluoromethyl)thiazole-5-carboxylate (CAS# 344-72-9) is a useful research chemical. |
Molecular Weight: | 240.20 |
Molecular Formula: | C7H7F3N2O2S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(S1)N)C(F)(F)F |
InChI: | InChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)12-6(11)15-3/h2H2,1H3,(H2,11,12) |
InChI Key: | XJRPTMORGOIMMI-UHFFFAOYSA-N |
Boiling Point: | 329.7 °C at 760 mmHg |
Density: | 1.479 g/cm3 |
MDL: | MFCD00153147 |
LogP: | 2.50200 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021046426-A1 | Cyclic dinucleotide sting agonists tethered to a pd-1 or ctla-4 antibodies | 20190906 |
WO-2019051488-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISEASE | 20170911 |
WO-2019051489-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISEASE | 20170911 |
US-2020268899-A1 | Compounds, compositions, and methods for the treatment of disease | 20170911 |
US-2020270299-A1 | Compounds, compositions, and methods for the treatment of disease | 20170911 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.01803313 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.01803313 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 93.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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