| CAS Number | 115335-02-9 |
| Catalog Number | AG00J444(AGN-PC-0BEP6R) |
| Chemical Name | N-Methyl-2-[(4-methylphenyl)thio]ethanamine hydrochloride |
| IUPAC Name | N-methyl-2-(4-methylphenyl)sulfanylethanamine;hydrochloride |
| InChI | InChI=1S/C10H15NS.ClH/c1-9-3-5-10(6-4-9)12-8-7-11-2;/h3-6,11H,7-8H2,1-2H3;1H |
| InChI Key | NOEXJQYITLGFFS-UHFFFAOYSA-N |
| MDL Number | MFCD13194097 |
| Molecular Formula | C10H16ClNS |
| Molecular Weight | 217.7587 |
| SMILES | C1(C=CC(C)=CC=1)SCCNC.Cl |
| Synonyms | 115335-02-9,
N-Methyl-2-[(4-methylphenyl)thio]ethanamine hydrochloride,
N-Methyl-2-(p-tolylthio)ethanamine hydrochloride,
ZX-CM018409,
MFCD13194097,
AKOS027386273,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.755g/mol |
| Monoisotopic Mass | 217.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number