| CAS Number | 355803-77-9 |
| Catalog Number | AG00C95G(AGN-PC-0BS8S3) |
| Chemical Name | Dodecyl Methanethiosulfonate |
| IUPAC Name | dodecoxy-methyl-oxo-sulfanylidene-λ6-sulfane |
| InChI | InChI=1S/C13H28O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-15-17(2,14)16/h3-13H2,1-2H3 |
| InChI Key | UOJPDFXOEXAGPT-UHFFFAOYSA-N |
| MDL Number | MFCD01863386 |
| Molecular Formula | C13H28O2S2 |
| Molecular Weight | 280.4902 |
| SMILES | CCCCCCCCCCCCSS(=O)(=O)C |
| Synonyms | 355803-77-9,
Methanesulfonothioicacid, S-dodecyl ester,
dodecyl methanethiosulphonate,
SCHEMBL5474307,
CTK4H4816,
AKOS030239664,
Dodecyl Methanethiosulfonate,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.485g/mol |
| Monoisotopic Mass | 280.153g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number