| CAS Number | 50746-61-7 |
| Catalog Number | AG006W5A(AGN-PC-0NEQIO) |
| Chemical Name | Diethyl (methanesulfinylmethyl)phosphonate |
| IUPAC Name | 1-[ethoxy(methylsulfinylmethyl)phosphoryl]oxyethane |
| InChI | InChI=1S/C6H15O4PS/c1-4-9-11(7,10-5-2)6-12(3)8/h4-6H2,1-3H3 |
| InChI Key | AOXOMZRWXATGKP-UHFFFAOYSA-N |
| MDL Number | MFCD16876662 |
| Molecular Formula | C6H15O4PS |
| Molecular Weight | 214.2197 |
| SMILES | CCOP(OCC)(CS(C)=O)=O |
| Synonyms | 50746-61-7,
diethyl (methanesulfinylmethyl)phosphonate,
Phosphonic acid, [(methylsulfinyl)methyl]-, diethyl ester,
DIETHYL METHYLSULFINYLMETHYLPHOSPHONATE,
SCHEMBL808113,
CTK1G6108,
DTXSID20452608,
NE53720,
Methyl(diethoxyphosphinylmethyl) sulfoxide,
Diethyl [(methanesulfinyl)methyl]phosphonate,
CID11031207,
1-(ethoxy-(methylsulfinylmethyl)phosphoryl)oxyethane,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.216g/mol |
| Monoisotopic Mass | 214.043g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number