| CAS Number | 6431-65-8 |
| Catalog Number | AG019PUE(AGN-PC-0LWHK5) |
| Chemical Name | 6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine |
| IUPAC Name | 6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine |
| InChI | InChI=1S/C9H8F3NS/c10-9(11,12)6-1-2-8-7(5-6)13-3-4-14-8/h1-2,5,13H,3-4H2 |
| InChI Key | MEJJCPDHJCPHMO-UHFFFAOYSA-N |
| MDL Number | MFCD08271864 |
| Molecular Formula | C9H8F3NS |
| Molecular Weight | 219.2267 |
| SMILES | FC(C1=CC2=C(SCCN2)C=C1)(F)F |
| Synonyms | 6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine,
6431-65-8,
6-trifluoromethyl-3,4-dihydro-2H-benzo[1,4]thiazine,
AC1OEW4D,
AC1Q4J6F,
CTK7B6775,
ZINC3889004,
AKOS009111966,
NE13801,
SC-28779,
EN300-86533,
6-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-1,4-BENZOTHIAZI,
ZINC03889004,
CID7064118,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.225g/mol |
| Monoisotopic Mass | 219.033g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number