Methyl 3-[(2-methoxy-2-oxoethyl)thio]propionate - CAS 7400-45-5
Catalog: |
BB034976 |
Product Name: |
Methyl 3-[(2-methoxy-2-oxoethyl)thio]propionate |
CAS: |
7400-45-5 |
Synonyms: |
methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate |
IUPAC Name: | methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate |
Description: | Methyl 3-[(2-methoxy-2-oxoethyl)thio]propionate (CAS# 7400-45-5) is a compound useful in organic synthesis. |
Molecular Weight: | 192.23 |
Molecular Formula: | C7H12O4S |
Canonical SMILES: | COC(=O)CCSCC(=O)OC |
InChI: | InChI=1S/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3 |
InChI Key: | XNDKLLFGXIEGKL-UHFFFAOYSA-N |
Boiling Point: | 258-259 ℃ (lit.) |
Purity: | 97+ % |
Density: | 1.164 g/cm3 |
MDL: | MFCD00043633 |
LogP: | 0.45570 |
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 |
EP-3901151-A1 | Halogenated-heteroaryl and other heterocyclic kinase inhibitors, and uses thereof | 20200421 |
JP-2020139048-A | Solid catalyst component for olefin polymerization, catalyst for olefin polymerization and method for producing olefin polymer | 20190228 |
WO-2019070980-A2 | SYNTHESIS OF CANTHARIDINE | 20171004 |
US-2020270269-A1 | Synthesis of cantharidin | 20171004 |
WO-2016145082-A1 | Tetrahydrothiophene-based gaba aminotransferase inactivators | 20150309 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.04563003 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.04563003 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 77.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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