4-Methyl-2-thiazolecarboxaldehyde - CAS 13750-68-0
Catalog: |
BB008612 |
Product Name: |
4-Methyl-2-thiazolecarboxaldehyde |
CAS: |
13750-68-0 |
Synonyms: |
4-methyl-1,3-thiazole-2-carbaldehyde |
IUPAC Name: | 4-methyl-1,3-thiazole-2-carbaldehyde |
Description: | 4-Methyl-2-thiazolecarboxaldehyde (CAS# 13750-68-0) is used to prepare selective cyclooxygenase-2 inhibitors. Thiazole containing compounds demonstrated excellent oral activity. |
Molecular Weight: | 127.16 |
Molecular Formula: | C5H5NOS |
Canonical SMILES: | CC1=CSC(=N1)C=O |
InChI: | InChI=1S/C5H5NOS/c1-4-3-8-5(2-7)6-4/h2-3H,1H3 |
InChI Key: | NYMCQLLAIMUVSY-UHFFFAOYSA-N |
Boiling Point: | 236 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.183 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD00022450 |
LogP: | 1.26400 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149894-A | (E) Pharmaceutical use of (E) -3-arylheterocyclylprop-2-enoic acid derivatives | 20200622 |
WO-2021106230-A1 | Novel phenol compound or salt thereof | 20191129 |
EP-3816152-A1 | Specific materials used for the detection of at least one alkaline element | 20191029 |
US-2021122837-A1 | Specific materials that can be used for the detection of at least one alkaline element | 20191029 |
CN-109851570-A | A kind of chalcone derivative, preparation method and the application of the triazine containing 1,2,4- | 20190202 |
Complexity: | 96.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.00918496 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.00918496 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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