| CAS Number | 212262-04-9 |
| Catalog Number | AG006YID(AGN-PC-0BT666) |
| Chemical Name | 3,6-Dioxaoctane-1,8-diyl Bismethanethiosulfonate |
| IUPAC Name | methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane |
| InChI | InChI=1S/C8H18O6S4/c1-17(9,15)13-7-5-11-3-4-12-6-8-14-18(2,10)16/h3-8H2,1-2H3 |
| InChI Key | KPBCHHUHCVAPMU-UHFFFAOYSA-N |
| MDL Number | MFCD01320398 |
| Molecular Formula | C8H18O6S4 |
| Molecular Weight | 338.4849 |
| SMILES | CS(=O)(=O)SCCOCCOCCSS(=O)(=O)C |
| Synonyms | 3,6-DIOXAOCTANE-1,8-DIYL BISMETHANETHIOSULFONATE,
212262-04-9,
CTK4E6136,
DTXSID40725028,
AKOS030254883,
O,O'-[Ethane-1,2-diylbis(oxyethane-2,1-diyl)] dimethanesulfonothioate,
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| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.466g/mol |
| Monoisotopic Mass | 337.999g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 152A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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