| CAS Number | 1016799-62-4 |
| Catalog Number | AG018MMP(AGN-PC-0WOWSK) |
| Chemical Name | 2-(4-Acetyl-piperazin-1-yl)-thioacetamide |
| IUPAC Name | 2-(4-acetylpiperazin-1-yl)ethanethioamide |
| InChI | InChI=1S/C8H15N3OS/c1-7(12)11-4-2-10(3-5-11)6-8(9)13/h2-6H2,1H3,(H2,9,13) |
| InChI Key | DYHQKCDHXMBJJV-UHFFFAOYSA-N |
| MDL Number | MFCD09945165 |
| Molecular Formula | C8H15N3OS |
| Molecular Weight | 201.2892 |
| SMILES | CC(=O)N1CCN(CC1)CC(=S)N |
| Synonyms | 2-(4-acetylpiperazin-1-yl)ethanethioamide,
1016799-62-4,
2-(4-Acetyl-piperazin-1-yl)-thioacetamide,
AC1Q1KDX,
CTK7D3903,
DTXSID50640915,
ZINC16890348,
AKOS000189767,
MCULE-7641573909,
NE25426,
(4-Acetylpiperazin-1-yl)ethanethioamide,
EN300-59688,
F2158-0126,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.288g/mol |
| Monoisotopic Mass | 201.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number