| CAS Number | 1393377-31-5 |
| Catalog Number | AG01DTMZ |
| Chemical Name | 6-methyl-1,2λ⁶,3-benzoxathiazine-2,2-dione |
| IUPAC Name | 6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide |
| InChI | InChI=1S/C8H7NO3S/c1-6-2-3-8-7(4-6)5-9-13(10,11)12-8/h2-5H,1H3 |
| InChI Key | PKVLIZWFWZAIQC-UHFFFAOYSA-N |
| MDL Number | MFCD31801891 |
| Molecular Formula | C8H7NO3S |
| Molecular Weight | 197.2111 |
| SMILES | Cc1ccc2OS(=O)(=O)N=Cc2c1 |
| Synonyms | 1,2,3-Benzoxathiazine, 6-methyl-, 2,2-dioxide,
1393377-31-5,
J3.536.934A,
6-Methyl-1,2,3-benzooxathiazine 2,2-dioxide,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.208g/mol |
| Monoisotopic Mass | 197.015g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number