| CAS Number | 59701-96-1 |
| Catalog Number | AG00F283(AGN-PC-00LD76) |
| Chemical Name | Piperazinone, 4-(methylsulfonyl)- (9CI) |
| IUPAC Name | 4-methylsulfonylpiperazin-2-one |
| InChI | InChI=1S/C5H10N2O3S/c1-11(9,10)7-3-2-6-5(8)4-7/h2-4H2,1H3,(H,6,8) |
| InChI Key | OOGMZUVDPWTYIC-UHFFFAOYSA-N |
| MDL Number | MFCD17226190 |
| Molecular Formula | C5H10N2O3S |
| Molecular Weight | 178.2095 |
| SMILES | CS(=O)(=O)N1CC(NCC1)=O |
| Synonyms | 4-(METHYLSULFONYL)PIPERAZIN-2-ONE,
59701-96-1,
4-methanesulfonylpiperazin-2-one,
SCHEMBL3558395,
CTK5B0330,
DTXSID20525967,
OOGMZUVDPWTYIC-UHFFFAOYSA-N,
4-(Methanesulfonyl)piperazin-2-one,
ZINC39114136,
AKOS009053972,
MCULE-6133170233,
Piperazinone,4-(methylsulfonyl)-(9ci),
Z133718524,
PIPERAZINONE, 4-(METHYLSULFONYL)- (9CI),
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.206g/mol |
| Monoisotopic Mass | 178.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number