| CAS Number | 1172282-69-7 |
| Catalog Number | AG019U9G |
| Chemical Name | 1-[2-(phenylsulfanyl)ethyl]piperazine dihydrochloride |
| IUPAC Name | 1-(2-phenylsulfanylethyl)piperazine;dihydrochloride |
| InChI | InChI=1S/C12H18N2S.2ClH/c1-2-4-12(5-3-1)15-11-10-14-8-6-13-7-9-14;;/h1-5,13H,6-11H2;2*1H |
| InChI Key | UXSYLWBRSZPTPY-UHFFFAOYSA-N |
| MDL Number | MFCD11839747 |
| Molecular Formula | C12H20Cl2N2S |
| Molecular Weight | 295.2716 |
| SMILES | Cl.Cl.C(SC1=CC=CC=C1)CN1CCNCC1 |
| Synonyms | 1-[2-(phenylsulfanyl)ethyl]piperazine dihydrochloride,
1172282-69-7,
1-[2-(phenylthio)ethyl]piperazine dihydrochloride,
1-(2-(Phenylthio)ethyl)piperazine dihydrochloride,
CTK7D1763,
AKOS026851732,
MCULE-8064486386,
NE59339,
EN300-41001,
Z415728142,
AC1Q3A26,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.072425g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.3g/mol |
| Monoisotopic Mass | 294.072425g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number