| CAS Number | 55-95-8 |
| Catalog Number | AG00DFDI(AGN-PC-0SJYO7) |
| Chemical Name | 1,2-Ethanediyl Bismethanethiosulfonate |
| IUPAC Name | methyl-(2-methylsulfonothioyloxyethoxy)-oxo-sulfanylidene-λ6-sulfane |
| InChI | InChI=1S/C4H10O4S4/c1-11(5,9)7-3-4-8-12(2,6)10/h3-4H2,1-2H3 |
| InChI Key | ZPYJHBMMQRTJNL-UHFFFAOYSA-N |
| MDL Number | MFCD01320400 |
| Molecular Formula | C4H10O4S4 |
| Molecular Weight | 250.3798 |
| SMILES | CS(=O)(=O)SCCSS(=O)(=O)C |
| Synonyms | 1,2-Ethanediyl Bismethanethiosulfonate,
55-95-8,
SCHEMBL565381,
CTK1G8519,
AKOS030242441,
Bismethanethiosulfonic acid ethylene ester,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.36g/mol |
| Monoisotopic Mass | 249.946g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number