| CAS Number | 1936720-96-5 |
| Catalog Number | AG01EB4B |
| Chemical Name | 4-acetylthiomorpholine-3-carbothioamide |
| IUPAC Name | 4-acetylthiomorpholine-3-carbothioamide |
| InChI | InChI=1S/C7H12N2OS2/c1-5(10)9-2-3-12-4-6(9)7(8)11/h6H,2-4H2,1H3,(H2,8,11) |
| InChI Key | XDPGHMKUYKQJLK-UHFFFAOYSA-N |
| MDL Number | MFCD31736487 |
| Molecular Formula | C7H12N2OS2 |
| Molecular Weight | 204.3130 |
| SMILES | CC(N1C(C(N)=S)CSCC1)=O |
| Synonyms | 4-acetylthiomorpholine-3-carbothioamide,
1936720-96-5,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.306g/mol |
| Monoisotopic Mass | 204.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number