Methyl 2-phenylsulfinylacetate - CAS 14090-83-6
Catalog: |
BB009140 |
Product Name: |
Methyl 2-phenylsulfinylacetate |
CAS: |
14090-83-6 |
Synonyms: |
methyl 2-(benzenesulfinyl)acetate |
IUPAC Name: | methyl 2-(benzenesulfinyl)acetate |
Description: | Methyl 2-phenylsulfinylacetate (CAS# 14090-83-6 ) is a useful research chemical. |
Molecular Weight: | 198.24 |
Molecular Formula: | C9H10O3S |
Canonical SMILES: | COC(=O)CS(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C9H10O3S/c1-12-9(10)7-13(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
InChI Key: | JPPXZUDQIXZLIL-UHFFFAOYSA-N |
Boiling Point: | 130-131 ℃ / 0.5 mmHg (lit.) |
Density: | 1.29 g/cm3 |
MDL: | MFCD00002087 |
LogP: | 1.83290 |
Publication Number | Title | Priority Date |
WO-2020239658-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of diseases | 20190529 |
US-2019265250-A1 | Method of genome-wide direct identification of electrophile-sensing targets | 20180223 |
JP-2018076261-A | Method for producing sulfide | 20161110 |
WO-2017087659-A1 | Liquid crystal sensor | 20151118 |
US-2020409221-A1 | Liquid crystal sensor | 20151118 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.03506535 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 62.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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