| CAS Number | 1342431-41-7 |
| Catalog Number | AG01ACSS(AGN-PC-0WO0MN) |
| Chemical Name | 3-[3-(trifluoromethyl)phenyl]thiomorpholine |
| IUPAC Name | 3-[3-(trifluoromethyl)phenyl]thiomorpholine |
| InChI | InChI=1S/C11H12F3NS/c12-11(13,14)9-3-1-2-8(6-9)10-7-16-5-4-15-10/h1-3,6,10,15H,4-5,7H2 |
| InChI Key | HUNSQMSQZADNKP-UHFFFAOYSA-N |
| MDL Number | MFCD20287238 |
| Molecular Formula | C11H12F3NS |
| Molecular Weight | 247.2799 |
| SMILES | FC(C1=CC(C2NCCSC2)=CC=C1)(F)F |
| Synonyms | 3-[3-(trifluoromethyl)phenyl]thiomorpholine,
1342431-41-7,
SCHEMBL5537125,
AKOS013602746,
NE16588,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.064255g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.28g/mol |
| Monoisotopic Mass | 247.064255g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number