Methyl 3-(3-Oxo-2-isothiazolyl)propanoate - CAS 33319-78-7
Catalog: |
BB021662 |
Product Name: |
Methyl 3-(3-Oxo-2-isothiazolyl)propanoate |
CAS: |
33319-78-7 |
Synonyms: |
3-(3-oxo-2-isothiazolyl)propanoic acid methyl ester; methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate |
IUPAC Name: | methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate |
Description: | Methyl 3-(3-Oxo-2-isothiazolyl)propanoate (CAS# 33319-78-7 ) is a useful research chemical. |
Molecular Weight: | 187.22 |
Molecular Formula: | C7H9NO3S |
Canonical SMILES: | COC(=O)CCN1C(=O)C=CS1 |
InChI: | InChI=1S/C7H9NO3S/c1-11-7(10)2-4-8-6(9)3-5-12-8/h3,5H,2,4H2,1H3 |
InChI Key: | YBWFJOGNQAGCGM-UHFFFAOYSA-N |
LogP: | 0.47290 |
Publication Number | Title | Priority Date |
US-5465527-A | Landscaping border | 19950126 |
US-4265899-A | Cosmetic formulation comprising 3-isothiazolones | 19780530 |
US-4322475-A | Article having surface coated with paints containing 3-isothiazolones | 19780530 |
US-4062946-A | Parasiticidal animal dip compositions protected against microbial buildup | 19711018 |
US-4150026-A | Metal salt complexes of 3-isothiazolones | 19710512 |
PMID | Publication Date | Title | Journal |
19111471 | 20090115 | Inhibition of the PCAF histone acetyl transferase and cell proliferation by isothiazolones | Bioorganic & medicinal chemistry |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.03031432 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 71.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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