Methyl (methylthio)acetate - CAS 16630-66-3
Catalog: |
BB012262 |
Product Name: |
Methyl (methylthio)acetate |
CAS: |
16630-66-3 |
Synonyms: |
methyl 2-methylsulfanylacetate |
IUPAC Name: | methyl 2-methylsulfanylacetate |
Description: | Methyl (methylthio)acetate (CAS# 16630-66-3) is a reagent used in the synthesis of lupeol derivatives as pro-inflammator cytokin inhibitors. |
Molecular Weight: | 120.17 |
Molecular Formula: | C4H8O2S |
Canonical SMILES: | COC(=O)CSC |
InChI: | InChI=1S/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3 |
InChI Key: | HZYCAKGEXXKCDM-UHFFFAOYSA-N |
Boiling Point: | 157.3 °C at 760 mmHg, 49-51 °C / 12 mmHg (lit.) |
Density: | 1.11 g/cm3 |
Solubility: | 4.059e+004 mg/L at 25 °C (est) |
Appearance: | Clear, Colourless liquid |
MDL: | MFCD00039809 |
LogP: | 0.52240 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021066951-A | Painted galvanized steel sheet | 20191017 |
WO-2019243869-A1 | Protective agent for food products and the like and for curing and/or storage rooms of the same | 20180619 |
EP-3809876-A1 | Protective agent for food products and the like and for curing and/or storage rooms of the same | 20180619 |
US-2020079808-A1 | Glycopolymers sequestering carbohydrate-binding proteins | 20170315 |
CN-106834357-B | Passion fruit fermented product, preparation method thereof and tobacco product containing fermented product | 20170217 |
PMID | Publication Date | Title | Journal |
21280634 | 20110223 | Identification of new strawberry sulfur volatiles and changes during maturation | Journal of agricultural and food chemistry |
21094391 | 20101217 | Optimization of ultrasound assisted-emulsification-dispersive liquid-liquid microextraction by experimental design methodologies for the determination of sulfur compounds in wines by gas chromatography-mass spectrometry | Analytica chimica acta |
Complexity: | 62.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.02450067 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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