| CAS Number | 1195367-13-5 |
| Catalog Number | AG019YHE(AGN-PC-0WO5MK) |
| Chemical Name | 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine |
| IUPAC Name | 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine |
| InChI | InChI=1S/C10H13NS/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-8,11H,1-2H3 |
| InChI Key | RFRWCQZPTDJSPQ-UHFFFAOYSA-N |
| MDL Number | MFCD22196407 |
| Molecular Formula | C10H13NS |
| Molecular Weight | 179.2819 |
| SMILES | CC1C(C)SC2=C(C=CC=C2)N1 |
| Synonyms | 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine,
1195367-13-5,
AKOS026727935,
MCULE-2662848718,
NE16818,
Z1359429516,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.281g/mol |
| Monoisotopic Mass | 179.077g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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