| CAS Number | 1185044-02-3 |
| Catalog Number | AG01DL0P |
| Chemical Name | 2-[4-(Trifluoromethyl)phenyl] thiomorpholine, HCl |
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]thiomorpholine;hydrochloride |
| InChI | InChI=1S/C11H12F3NS.ClH/c12-11(13,14)9-3-1-8(2-4-9)10-7-15-5-6-16-10;/h1-4,10,15H,5-7H2;1H |
| InChI Key | BIGPHBCOCLAZIJ-UHFFFAOYSA-N |
| MDL Number | MFCD03840040 |
| Molecular Formula | C11H13ClF3NS |
| Molecular Weight | 283.7408 |
| SMILES | Cl.FC(F)(F)C1=CC=C(C=C1)C1CNCCS1 |
| Synonyms | 1185044-02-3,
2-[4-(Trifluoromethyl)Phenyl] Thiomorpholine Hydrochloride,
2-[4-(TRIFLUOROMETHYL)PHENYL] THIOMORPHOLINE HCL,
2-(4-(Trifluoromethyl)phenyl)thiomorpholine hydrochloride,
C11H12F3NS.HCl,
SCHEMBL3154981,
CTK7B6667,
2TMA-Q07-1,
4957AH,
AR1262,
MFCD03840040,
AKOS027253737,
AS-45071,
A-7571,
2-[4-(Trifluoromethyl)phenyl] thiomorpholine, HCl,
2-(4-Trifluoromethylphenyl)thiomorpholine hydrochloride,
2-(4-Trifluoromethyl-phenyl)-thiomorpholine hydrochloride,
2-[4-(trifluoromethyl)phenyl] thiomorpholine hydrochloride, AldrichCPR,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.737g/mol |
| Monoisotopic Mass | 283.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number