| CAS Number | 1644381-18-9 |
| Catalog Number | AG01DHD3 |
| Chemical Name | 3-(PIPERAZIN-1-YL)TETRAHYDROTHIOPHENE 1,1-DIOXIDE HYDROCHLORIDE |
| IUPAC Name | 3-piperazin-1-ylthiolane 1,1-dioxide;hydrochloride |
| InChI | InChI=1S/C8H16N2O2S.ClH/c11-13(12)6-1-8(7-13)10-4-2-9-3-5-10;/h8-9H,1-7H2;1H |
| InChI Key | QYFABGRAQQENFF-UHFFFAOYSA-N |
| MDL Number | MFCD08445276 |
| Molecular Formula | C8H17ClN2O2S |
| Molecular Weight | 240.7508 |
| SMILES | Cl.O=S1(=O)CCC(C1)N1CCNCC1 |
| Synonyms | SCHEMBL16371018,
QYFABGRAQQENFF-UHFFFAOYSA-N,
TZ000636,
3-piperazin-1-ylthiolane 1,1-dioxidehydrochloride,
1-(1,1-dioxidotetrahydrothiophen-3-yl)piperazine hydrochloride,
3-(Piperazin-1-Yl)Tetrahydrothiophene 1,1-Dioxide Hydrochloride,
1644381-18-9,
1-(1,1-dioxidotetrahydrothien-3-yl)piperazine dihydrochloride,
110469-63-1,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.746g/mol |
| Monoisotopic Mass | 240.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number