| CAS Number | 2091110-80-2 |
| Catalog Number | AG01C5LJ |
| Chemical Name | (3-methyl-1,1-dioxo-1lambda6-thietan-3-yl)methanesulfonyl chloride |
| IUPAC Name | (3-methyl-1,1-dioxothietan-3-yl)methanesulfonyl chloride |
| InChI | InChI=1S/C5H9ClO4S2/c1-5(4-12(6,9)10)2-11(7,8)3-5/h2-4H2,1H3 |
| InChI Key | GIWQQKGRNLBLRI-UHFFFAOYSA-N |
| MDL Number | MFCD30613447 |
| Molecular Formula | C5H9ClO4S2 |
| Molecular Weight | 232.7056 |
| SMILES | CC1(CS(=O)(=O)C1)CS(Cl)(=O)=O |
| Synonyms | (3-methyl-1,1-dioxo-1lambda6-thietan-3-yl)methanesulfonyl chloride,
2091110-80-2,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.693g/mol |
| Monoisotopic Mass | 231.963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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