| CAS Number | 914654-77-6 |
| Catalog Number | AG00GVRW(AGN-PC-07HBW7) |
| Chemical Name | 1-(Tetrahydro-2h-thiopyran-4-yl)piperazine dihydrochloride |
| IUPAC Name | 1-(thian-4-yl)piperazine;dihydrochloride |
| InChI | InChI=1S/C9H18N2S.2ClH/c1-7-12-8-2-9(1)11-5-3-10-4-6-11;;/h9-10H,1-8H2;2*1H |
| InChI Key | LCAKJBDYQNCARY-UHFFFAOYSA-N |
| MDL Number | MFCD13857366 |
| Molecular Formula | C9H22Cl2N2OS |
| Molecular Weight | 277.2548 |
| SMILES | O.Cl.Cl.C1CN(CCN1)C1CCSCC1 |
| Synonyms | 1-(Tetrahydro-2H-thiopyran-4-yl)piperazine dihydrochloride,
914654-77-6,
DTXSID40716638,
AKOS015898890,
MCULE-1894770306,
1-(thian-4-yl)piperazine dihydrochloride,
FT-0683125,
I09-2602,
1-(Thian-4-yl)piperazine--hydrogen chloride (1/2),
F2199-0308,
1573547-25-7,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.233g/mol |
| Monoisotopic Mass | 258.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number