| CAS Number | 2043-76-7 |
| Catalog Number | AG0029ER(AGN-PC-00MUMQ) |
| Chemical Name | S-Ethyl methanesulfonothioate |
| IUPAC Name | 1-methylsulfonylsulfanylethane |
| InChI | InChI=1S/C3H8O2S2/c1-3-6-7(2,4)5/h3H2,1-2H3 |
| InChI Key | IZAYCFBWPSFFJI-UHFFFAOYSA-N |
| MDL Number | MFCD09842607 |
| Molecular Formula | C3H8O2S2 |
| Molecular Weight | 140.2244 |
| SMILES | CCSS(=O)(=O)C |
| Synonyms | Ethyl Methanethiosulfonate,
2043-76-7,
S-ethyl methanesulfonothioate,
1-methylsulfonylsulfanyl-ethane,
1-methylsulfonylsulfanylethane,
SCHEMBL3194664,
DTXSID40542530,
FCH874774,
ZINC22059036,
(METHANESULFONYLSULFANYL)ETHANE,
AKOS006312339,
Methanethiosulfonic acid S-ethyl ester,
ACM2043767,
Methanesulfonothioic Acid S-Ethyl Ester,
Methanesulfonothioic acid, S-ethyl ester,
FT-0668314,
J-013319,
EMTS,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.215g/mol |
| Monoisotopic Mass | 139.997g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number