| CAS Number | 1171835-84-9 |
| Catalog Number | AG00HDU0(AGN-PC-0WCOIZ) |
| Chemical Name | 3-Phenylsulfanylpiperidine, HCl |
| IUPAC Name | 3-phenylsulfanylpiperidine;hydrochloride |
| InChI | InChI=1S/C11H15NS.ClH/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11;/h1-3,5-6,11-12H,4,7-9H2;1H |
| InChI Key | ZZOYNVJLEFAJHE-UHFFFAOYSA-N |
| MDL Number | MFCD05863872 |
| Molecular Formula | C11H16ClNS |
| Molecular Weight | 229.7694 |
| SMILES | Cl.C1CNCC(C1)SC1=CC=CC=C1 |
| Synonyms | 3-(phenylthio)piperidine hydrochloride,
1171835-84-9,
3-Phenylsulfanylpiperidine hydrochloride,
3-PHENYLSULFANYLPIPERIDINE HCL,
3-Phenylsulphanylpiperidine hydrochloride,
F9995-2403,
3-Phenylsulfanylpiperidine, HCl,
SCHEMBL15650239,
CTK5J6760,
3NSA-0-1,
ZX-AT016117,
AR1535,
MFCD05863872,
AKOS026677232,
MCULE-7396822698,
OR10305,
3-(phenylsulfanyl)piperidine hydrochloride,
AS-45148,
A-7287,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.766g/mol |
| Monoisotopic Mass | 229.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number