| CAS Number | 861881-11-0 |
| Catalog Number | AG01A0BY(AGN-PC-06KO6V) |
| Chemical Name | 4-[2-Amino-4-(trifluoromethyl)phenyl]-1lambda6-thiomorpholine-1,1-dione |
| IUPAC Name | 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-(trifluoromethyl)aniline |
| InChI | InChI=1S/C11H13F3N2O2S/c12-11(13,14)8-1-2-10(9(15)7-8)16-3-5-19(17,18)6-4-16/h1-2,7H,3-6,15H2 |
| InChI Key | NAJGKCZNYWUQJD-UHFFFAOYSA-N |
| MDL Number | MFCD12569406 |
| Molecular Formula | C11H13F3N2O2S |
| Molecular Weight | 294.2933 |
| SMILES | NC1=C(N2CCS(=O)(=O)CC2)C=CC(C(F)(F)F)=C1 |
| Synonyms | 861881-11-0,
4-[2-Amino-4-(trifluoromethyl)phenyl]-1lambda6-thiomorpholine-1,1-dione,
ZINC37368354,
NE56322,
4-[2-amino-4-(trifluoromethyl)phenyl]-1$l^{6},4-thiomorpholine-1,1-dione,
4-[2-amino-4-(trifluoromethyl)phenyl]-1??,4-thiomorpholine-1,1-dione,
4-[2-amino-4-(trifluoromethyl)phenyl]-1lambda-thiomorpholine-1,1-dione,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.292g/mol |
| Monoisotopic Mass | 294.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number