| CAS Number | 1391401-54-9 |
| Catalog Number | AG01B7XJ |
| Chemical Name | (1R)-1-[4-(methylsulfanyl)phenyl]ethan-1-amine hydrochloride |
| IUPAC Name | (1R)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H13NS.ClH/c1-7(10)8-3-5-9(11-2)6-4-8;/h3-7H,10H2,1-2H3;1H/t7-;/m1./s1 |
| InChI Key | FIKZELFTBUJWNB-OGFXRTJISA-N |
| MDL Number | MFCD16294237 |
| Molecular Formula | C9H14ClNS |
| Molecular Weight | 203.7322 |
| SMILES | C[C@@H](N)C1=CC=C(SC)C=C1.[H]Cl |
| Synonyms | (R)-1-(4-(Methylthio)phenyl)ethanamine hydrochloride,
1217456-30-8,
(1R)-1-[4-(methylsulfanyl)phenyl]ethan-1-amine hydrochloride,
1391401-54-9,
DTXSID70704220,
AKOS015923309,
J-501743,
(AlphaR)-alpha-methyl-4-(methylthio)-benzenemethanamine,
(1R)-1-[4-(Methylsulfanyl)phenyl]ethan-1-amine--hydrogen chloride (1/1),
ACN-055336,
(R)-1-(4-(METHYLTHIO)PHENYL)ETHANAMINE-HCl,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.728g/mol |
| Monoisotopic Mass | 203.054g/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
Certificate of Analysis
Lot Number