2,4-Dimethylthiazole-5-carboxylic acid - CAS 53137-27-2
Catalog: |
BB028059 |
Product Name: |
2,4-Dimethylthiazole-5-carboxylic acid |
CAS: |
53137-27-2 |
Synonyms: |
5-Thiazolecarboxylic acid, 2,4-dimethyl-; 2,4-Dimethyl-5-thiazolecarboxylic acid; 5-Carboxy-2,4-dimethylthiazole; RU 21542 |
IUPAC Name: | 2,4-dimethyl-1,3-thiazole-5-carboxylic acid |
Molecular Weight: | 157.19 |
Molecular Formula: | C6H7NO2S |
Canonical SMILES: | CC1=C(SC(=N1)C)C(=O)O |
InChI: | InChI=1S/C6H7NO2S/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9) |
InChI Key: | MQGBARXPCXAFRZ-UHFFFAOYSA-N |
Boiling Point: | 306.2±22.0°C at 760 mmHg |
Melting Point: | 124°C |
Purity: | ≥95% |
Density: | 1.341±0.06 g/cm3 |
Solubility: | Soluble in DMF (25 mg/ml), DMSO (10 mg/ml), Ethanol (5 mg/ml) |
Appearance: | White to yellow to orange powder, crystals or crystalline powder and/or chunks |
Storage: | Store at 2-8°C |
MDL: | MFCD00052943 |
LogP: | 1.45810 |
GHS Hazard Statement: | H302 (33.33%): 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 |
CN-112661754-A | Polycyclic compound for inhibiting RNA helicase DHX33 | 20201230 |
WO-2021173930-A1 | Kcnt1 inhibitors and methods of use | 20200228 |
EP-3822268-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2021094436-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2020132549-A1 | Sting heterocycle agonists and uses thereof | 20181221 |
PMID | Publication Date | Title | Journal |
23124461 | 20121101 | 2,4-Dimethyl-1,3-thiazole-5-carboxylic acid: an X-ray structural study at 100 K and Hirshfeld surface analysis | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.01974964 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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