| CAS Number | 1153039-20-3 |
| Catalog Number | AG01BGGW |
| Chemical Name | 3-(1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione |
| IUPAC Name | 3-pyrazol-1-ylthiolane 1,1-dioxide |
| InChI | InChI=1S/C7H10N2O2S/c10-12(11)5-2-7(6-12)9-4-1-3-8-9/h1,3-4,7H,2,5-6H2 |
| InChI Key | PFIFVPYNENWRNN-UHFFFAOYSA-N |
| MDL Number | MFCD12192630 |
| Molecular Formula | C7H10N2O2S |
| Molecular Weight | 186.2315 |
| SMILES | O=S1(CC(N2N=CC=C2)CC1)=O |
| Synonyms | 3-(1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione,
1153039-20-3,
3-(1H-pyrazol-1-yl)-1lambda-thiolane-1,1-dione,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.229g/mol |
| Monoisotopic Mass | 186.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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