2-(p-Tolyl)thiazole-4-carboxylic Acid - CAS 17228-99-8
Catalog: |
BB012810 |
Product Name: |
2-(p-Tolyl)thiazole-4-carboxylic Acid |
CAS: |
17228-99-8 |
Synonyms: |
2-(4-methylphenyl)-4-thiazolecarboxylic acid; 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid |
Description: | 2-(p-Tolyl)thiazole-4-carboxylic Acid (CAS# 17228-99-8) is a useful research chemical. |
Molecular Weight: | 219.26 |
Molecular Formula: | C11H9NO2S |
Canonical SMILES: | CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O |
InChI: | InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14) |
InChI Key: | MTVWIZYQYPRZGZ-UHFFFAOYSA-N |
Boiling Point: | 422.8 ℃ at 760 mmHg |
Density: | 1.319 g/cm3 |
Solubility: | 29.5 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD01936002 |
LogP: | 2.81670 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020289507-A1 | N-substituted indole derivatives as pge2 receptor modulators | 20151120 |
EP-2595989-B1 | Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels | 20100506 |
EP-2408745-B1 | Piperidine derivatives as nk3 receptor antagonists | 20090319 |
ES-2505190-T3 | Piperidine derivatives as nk3 receptor antagonists | 20090319 |
US-2010256126-A1 | Piperidine derivatives as nk3 receptor antagonists | 20090319 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.03539970 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.03539970 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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