Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate - CAS 886497-67-2
Catalog: |
BB048606 |
Product Name: |
Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate |
CAS: |
886497-67-2 |
Synonyms: |
2-Allylamino-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester; ethyl 2-(prop-2-en-1-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate; Ethyl 2-(allylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate; 5-Thiazolecarboxylic acid, 2-(2-propen-1-ylamino)-4-(trifluoromethyl)-, ethyl ester |
IUPAC Name: | ethyl 2-(prop-2-enylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
Description: | Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate (CAS# 886497-67-2 ) is a useful research chemical. |
Molecular Weight: | 280.27 |
Molecular Formula: | C10H11F3N2O2S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(S1)NCC=C)C(F)(F)F |
InChI: | InChI=1S/C10H11F3N2O2S/c1-3-5-14-9-15-7(10(11,12)13)6(18-9)8(16)17-4-2/h3H,1,4-5H2,2H3,(H,14,15) |
InChI Key: | IIUSHMZAVJXCRQ-UHFFFAOYSA-N |
Boiling Point: | 335.7±52.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.04933326 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.04933326 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 79.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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