2-Acetyl-4-methylthiazole - CAS 7533-07-5
Catalog: |
BB035294 |
Product Name: |
2-Acetyl-4-methylthiazole |
CAS: |
7533-07-5 |
Synonyms: |
1-(4-methyl-1,3-thiazol-2-yl)ethanone |
IUPAC Name: | 1-(4-methyl-1,3-thiazol-2-yl)ethanone |
Description: | 2-Acetyl-4-methylthiazole (CAS# 7533-07-5 ) is a useful research chemical. |
Molecular Weight: | 141.19 |
Molecular Formula: | C6H7NOS |
Canonical SMILES: | CC1=CSC(=N1)C(=O)C |
InChI: | InChI=1S/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H3 |
InChI Key: | QPUIPSFYQGKAFL-UHFFFAOYSA-N |
Boiling Point: | 233.9 °C at 760 mmHg |
Density: | 1.177 g/cm3 |
Appearance: | White to yellow solid, powder, crystals or crystalline powder and/or chunks |
LogP: | 1.65410 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021153439-A | Foods or flavors containing runner extract | 20200326 |
WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
CN-112584899-A | NLRP modulators | 20180703 |
EP-3817817-A1 | Nlrp modulators | 20180703 |
Complexity: | 126 |
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: | 1.4 |
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