| CAS Number | 54882-04-1 |
| Catalog Number | AG003TQ7(AGN-PC-0ND22J) |
| Chemical Name | Phenylsulfinylaceticacidethylester |
| IUPAC Name | ethyl 2-(benzenesulfinyl)acetate |
| InChI | InChI=1S/C10H12O3S/c1-2-13-10(11)8-14(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChI Key | HVVJMTVECSPOGD-UHFFFAOYSA-N |
| MDL Number | MFCD00191677 |
| Molecular Formula | C10H12O3S |
| Molecular Weight | 212.2655 |
| SMILES | CCOC(=O)CS(=O)c1ccccc1 |
| Synonyms | 54882-04-1,
Ethyl Phenylsulfinylacetate,
ethyl 2-(phenylsulfinyl)acetate,
PHENYLSULFINYLACETICACIDETHYLESTER,
Phenylsulfinylacetic Acid Ethyl Ester,
ACMC-1ATT0,
SCHEMBL4908868,
CTK5A2719,
DTXSID50448832,
ANW-32205,
MFCD00191677,
AKOS009157537,
AM87059,
(2-Ethoxy-2-oxoethyl)oxylatophenylsulfonium,
TR-019388,
P1135,
I14-100332,
Ethyl 2-(benzenesulfinyl)acetate,
CID10932761,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.263g/mol |
| Monoisotopic Mass | 212.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number