| CAS Number | 1909326-70-0 |
| Catalog Number | AG01C57P |
| Chemical Name | methyl[1-(phenylsulfanyl)propan-2-yl]amine hydrochloride |
| IUPAC Name | N-methyl-1-phenylsulfanylpropan-2-amine;hydrochloride |
| InChI | InChI=1S/C10H15NS.ClH/c1-9(11-2)8-12-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H |
| InChI Key | QXDBPGIZDLTXST-UHFFFAOYSA-N |
| MDL Number | MFCD29907063 |
| Molecular Formula | C10H16ClNS |
| Molecular Weight | 217.7587 |
| SMILES | Cl.CNC(CSC1=CC=CC=C1)C |
| Synonyms | methyl[1-(phenylsulfanyl)propan-2-yl]amine hydrochloride,
1909326-70-0,
|
| Complexity | 110 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
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