| CAS Number | 101258-21-3 |
| Catalog Number | AG01BION |
| Chemical Name | 3-Methylisothiazolidine 1,1-dioxide |
| IUPAC Name | 3-methyl-1,2-thiazolidine 1,1-dioxide |
| InChI | InChI=1S/C4H9NO2S/c1-4-2-3-8(6,7)5-4/h4-5H,2-3H2,1H3 |
| InChI Key | ULZOVNGHPDAGMF-UHFFFAOYSA-N |
| MDL Number | MFCD27940849 |
| Molecular Formula | C4H9NO2S |
| Molecular Weight | 135.1848 |
| SMILES | O=S1(NC(CC1)C)=O |
| Synonyms | 3-methylisothiazolidine-1,1-dioxide,
101258-21-3,
3-methyl-1lambda6,2-thiazolidine-1,1-dione,
SCHEMBL2365886,
ULZOVNGHPDAGMF-UHFFFAOYSA-N,
3-Methylisothiazolidine 1,1-dioxide,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.181g/mol |
| Monoisotopic Mass | 135.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
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