| CAS Number | 1172883-91-8 |
| Catalog Number | AG00HDWT(AGN-PC-0WR4GZ) |
| Chemical Name | 4-(4-Methoxyphenylsulfanyl)piperidine, HCl |
| IUPAC Name | 4-(4-methoxyphenyl)sulfanylpiperidine;hydrochloride |
| InChI | InChI=1S/C12H17NOS.ClH/c1-14-10-2-4-11(5-3-10)15-12-6-8-13-9-7-12;/h2-5,12-13H,6-9H2,1H3;1H |
| InChI Key | MVVLRAGCWPJXJX-UHFFFAOYSA-N |
| MDL Number | MFCD03840147 |
| Molecular Formula | C12H18ClNOS |
| Molecular Weight | 259.7954 |
| SMILES | Cl.COC1=CC=C(SC2CCNCC2)C=C1 |
| Synonyms | 1172883-91-8,
4-(4-METHOXYPHENYLSULFANYL)PIPERIDINE HCL,
4-(4-Methoxyphenylsulfanyl)piperidine hydrochloride,
4-(4-Methoxyphenylsulfanyl)piperidine, HCl,
4-((4-Methoxyphenyl)thio)piperidine hydrochloride,
4-(4-methoxyphenylsulphanyl)piperidine hydrochloride,
4-[(4-methoxyphenyl)sulfanyl]piperidine hydrochloride,
CTK7A5484,
5461AH,
AR1847,
MFCD03840147,
AKOS026746835,
AS-45221,
X-2284,
F2167-0464,
C12H17NOS.HCl,
|
| Complexity | 175 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number