| CAS Number | 1171919-62-2 |
| Catalog Number | AG0099K3(AGN-PC-0WR4F1) |
| Chemical Name | 3-(4-Methoxyphenylsulfanyl)piperidine, HCl |
| IUPAC Name | 3-(4-methoxyphenyl)sulfanylpiperidine;hydrochloride |
| InChI | InChI=1S/C12H17NOS.ClH/c1-14-10-4-6-11(7-5-10)15-12-3-2-8-13-9-12;/h4-7,12-13H,2-3,8-9H2,1H3;1H |
| InChI Key | VJZBACVVBBQSIH-UHFFFAOYSA-N |
| MDL Number | MFCD05863873 |
| Molecular Formula | C12H18ClNOS |
| Molecular Weight | 259.7954 |
| SMILES | Cl.COC1=CC=C(SC2CCCNC2)C=C1 |
| Synonyms | 1171919-62-2,
3-(4-METHOXYPHENYLSULFANYL)PIPERIDINE HCL,
3-(4-Methoxyphenylsulfanyl)piperidine hydrochloride,
3-((4-Methoxyphenyl)thio)piperidine hydrochloride,
CTK7A5483,
DTXSID00589981,
3NSA-Q01-1,
ZX-AT016118,
5205AH,
AR1538,
MFCD05863873,
AKOS027253705,
AS-45149,
3-(4-Methoxyphenylsulfanyl)piperidine, HCl,
X-1097,
3-(4-Methoxyphenylsulphanyl)piperidine hydrochloride,
3-[(4-methoxyphenyl)sulfanyl]piperidine hydrochloride,
3-[(4-Methoxyphenyl)sulfanyl]piperidine--hydrogen chloride (1/1),
C12H17NOS.HCl,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.792g/mol |
| Monoisotopic Mass | 259.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number