| CAS Number | 1951440-11-1 |
| Catalog Number | AG00I37K(AGN-PC-0WQWUN) |
| Chemical Name | 3,4-Dimethyl-(4H)1,4-benzothiazine-1,1-dioxide |
| IUPAC Name | 3,4-dimethyl-1λ6,4-benzothiazine 1,1-dioxide |
| InChI | InChI=1S/C10H11NO2S/c1-8-7-14(12,13)10-6-4-3-5-9(10)11(8)2/h3-7H,1-2H3 |
| InChI Key | ZRTORADAYSKNIA-UHFFFAOYSA-N |
| MDL Number | MFCD30182395 |
| Molecular Formula | C10H11NO2S |
| Molecular Weight | 209.2648 |
| SMILES | CC1=CS(=O)(=O)c2c(N1C)cccc2 |
| Synonyms | 3,4-Dimethyl-(4H)1,4-benzothiazine-1,1-dioxide,
1951440-11-1,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.263g/mol |
| Monoisotopic Mass | 209.051g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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