| CAS Number | 1800240-39-4 |
| Catalog Number | AG0021M5(AGN-PC-0WAMAL) |
| Chemical Name | Benzenemethanamine, α-methyl-4-[(trifluoromethyl)thio]-, hydrochloride (1:1), (αR)- |
| IUPAC Name | (1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H10F3NS.ClH/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12;/h2-6H,13H2,1H3;1H/t6-;/m1./s1 |
| InChI Key | FATBLICFSRIJRR-FYZOBXCZSA-N |
| MDL Number | MFCD24418250 |
| Molecular Formula | C9H11ClF3NS |
| Molecular Weight | 257.7035 |
| SMILES | C[C@@H](N)C1=CC=C(SC(F)(F)F)C=C1.[H]Cl |
| Synonyms | 1800240-39-4,
(R)-1-(4-((Trifluoromethyl)thio)phenyl)ethanamine hydrochloride,
(1R)-1-[4-(TRIFLUOROMETHYLTHIO)PHENYL]ETHYLAMINE HCl,
1228569-53-6,
KS-00000T1A,
MFCD24418250,
AKOS025395795,
GS-7182,
AX8297056,
(1R)-1-[4-(Trifluoromethylthio)phenyl]ethylamine hydrochloride,
(1R)-1-{4-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-amine hydrochloride,
Benzenemethanamine, alpha-methyl-4-[(trifluoromethyl)thio]-, hydrochloride (1:1), (alphaR)-,
FATBLICFSRIJRR-FYZOBXCZSA-N,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.699g/mol |
| Monoisotopic Mass | 257.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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