| CAS Number | 1565520-88-8 |
| Catalog Number | AG01AMR3 |
| Chemical Name | 4-(prop-2-yn-1-yl)thiomorpholine-3,5-dione |
| IUPAC Name | 4-prop-2-ynylthiomorpholine-3,5-dione |
| InChI | InChI=1S/C7H7NO2S/c1-2-3-8-6(9)4-11-5-7(8)10/h1H,3-5H2 |
| InChI Key | NIPBAVXNGNLXET-UHFFFAOYSA-N |
| MDL Number | MFCD26794948 |
| Molecular Formula | C7H7NO2S |
| Molecular Weight | 169.2010 |
| SMILES | O=C1N(CC#C)C(=O)CSC1 |
| Synonyms | 4-(prop-2-yn-1-yl)thiomorpholine-3,5-dione,
1565520-88-8,
AKOS034511178,
ZINC156945329,
Z649399496,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.198g/mol |
| Monoisotopic Mass | 169.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number