2-Amino-4-(trifluoromethyl)thiazole-5-carboxylic acid - CAS 239135-55-8
Catalog: |
BB018242 |
Product Name: |
2-Amino-4-(trifluoromethyl)thiazole-5-carboxylic acid |
CAS: |
239135-55-8 |
Synonyms: |
2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid |
IUPAC Name: | 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid |
Description: | 2-Amino-4-(trifluoromethyl)thiazole-5-carboxylic acid (CAS# 239135-55-8) is a useful research chemical. |
Molecular Weight: | 212.15 |
Molecular Formula: | C5H3F3N2O2S |
Canonical SMILES: | C1(=C(N=C(S1)N)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1(3(11)12)13-4(9)10-2/h(H2,9,10)(H,11,12) |
InChI Key: | NGMYYADEHCNLGO-UHFFFAOYSA-N |
Boiling Point: | 368.9 ℃ at 760 mmHg |
Melting Point: | 232-236 ℃ (dec.)(lit.) |
Purity: | 95 % |
Density: | 1.761 g/cm3 |
MDL: | MFCD00269431 |
LogP: | 2.02350 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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 |
CN-106632134-A | 2-(4-thiazolinone-2-imino)thiazole-5-carboxylate and preparation method and application thereof | 20151104 |
CN-105753808-A | Thiazole amide compounds, preparing method thereof and applications of the compounds | 20141218 |
CN-105753808-B | Thiazole amide compound and preparation method and application | 20141218 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.98673300 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.98673300 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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