2,4-Dimethylthiazole-5-carboxaldehyde - CAS 95453-54-6
Catalog: |
BB041727 |
Product Name: |
2,4-Dimethylthiazole-5-carboxaldehyde |
CAS: |
95453-54-6 |
Synonyms: |
2,4-dimethyl-1,3-thiazole-5-carbaldehyde |
IUPAC Name: | 2,4-dimethyl-1,3-thiazole-5-carbaldehyde |
Description: | 2,4-Dimethylthiazole-5-carboxaldehyde (CAS# 95453-54-6) is used to synthesize tetrasubstituted ethylenediamine-based derivs. as potent anticancer hFTase inhibitors. It is also used to prepare piperazinyl benzimidazoles as antagonists of gonadotropin-releasing hormone receptor. |
Molecular Weight: | 141.19 |
Molecular Formula: | C6H7NOS |
Canonical SMILES: | CC1=C(SC(=N1)C)C=O |
InChI: | InChI=1S/C6H7NOS/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3 |
InChI Key: | XAHWXDLKIYXDCK-UHFFFAOYSA-N |
Boiling Point: | 64 ℃ |
Density: | 1.213 g/cm3 |
MDL: | MFCD03407320 |
LogP: | 1.57240 |
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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109053623-A | A kind of novel processing step of 4- methyl-5-thiazole formaldehyde | 20180827 |
US-2021238139-A1 | Modulators of tryptophan catabolism | 20180601 |
WO-2019141957-A1 | N-pyrimidinyl hydroxy pyrazole derivatives and uses thereof | 20180119 |
EP-3541792-A1 | Triazole furan compounds as agonists of the apj receptor | 20161116 |
US-2019275008-A1 | Triazole furan compounds as agonists of the apj receptor | 20161116 |
PMID | Publication Date | Title | Journal |
21579114 | 20100410 | 5-(4-Chloro-phen-yl)-3-(2,4-dimethyl-thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline | Acta crystallographica. Section E, Structure reports online |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.02483502 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.02483502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Related Functional Groups
Carbonyl Compounds
Oxazole/Thiazole
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