Ethyl 2-(isopropylamino)-4-(trifluoromethyl)thiazole-5-carboxylate - CAS 135026-49-2
Catalog: |
BB048612 |
Product Name: |
Ethyl 2-(isopropylamino)-4-(trifluoromethyl)thiazole-5-carboxylate |
CAS: |
135026-49-2 |
Synonyms: |
2-Isopropylamino-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester; Ethyl 2-[(1-methylethyl)amino]-4-(trifluoromethyl)-5-thiazolecarboxylate; ethyl 2-[(methylethyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate; Ethyl 2-(isopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
IUPAC Name: | ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
Description: | Ethyl 2-(isopropylamino)-4-(trifluoromethyl)thiazole-5-carboxylate (CAS# 135026-49-2 ) is a useful research chemical. |
Molecular Weight: | 282.28 |
Molecular Formula: | C10H13F3N2O2S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(S1)NC(C)C)C(F)(F)F |
InChI: | InChI=1S/C10H13F3N2O2S/c1-4-17-8(16)6-7(10(11,12)13)15-9(18-6)14-5(2)3/h5H,4H2,1-3H3,(H,14,15) |
InChI Key: | GGMAUVCLTOVVCM-UHFFFAOYSA-N |
Boiling Point: | 323.8±52.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.06498332 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.06498332 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 79.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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