| CAS Number | 1049765-76-5 |
| Catalog Number | AG019PFV |
| Chemical Name | 3-(piperazine-1-carbonyl)-1lambda6-thiolane-1,1-dione hydrochloride |
| IUPAC Name | (1,1-dioxothiolan-3-yl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C9H16N2O3S.ClH/c12-9(11-4-2-10-3-5-11)8-1-6-15(13,14)7-8;/h8,10H,1-7H2;1H |
| InChI Key | WQQAHYCXAXWNKS-UHFFFAOYSA-N |
| MDL Number | MFCD07838295 |
| Molecular Formula | C9H17ClN2O3S |
| Molecular Weight | 268.7609 |
| SMILES | Cl.O=C(N1CCNCC1)C1CS(=O)(=O)CC1 |
| Synonyms | 1049765-76-5,
3-(piperazine-1-carbonyl)-1lambda6-thiolane-1,1-dione hydrochloride,
1-[(1,1-dioxidotetrahydrothien-3-yl)carbonyl]piperazine hydrochloride,
AC1Q3DWK,
CTK7G0188,
MCULE-6022609517,
EN300-23493,
Z166604930,
3-(piperazine-1-carbonyl)-1lambda-thiolane-1,1-dione hydrochloride,
3-[(piperazin-1-yl)carbonyl]-1$l^{6}-thiolane-1,1-dione hydrochloride,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.756g/mol |
| Monoisotopic Mass | 268.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number