Mol Weight - 128.155
Smiles - NC(c1conc1)=S
| Property Name | Property Value |
| Mol Name | isoxazole-4-carbothioamide |
| Molweight | 128.155 |
| Monoisotopic Mass | 128.004433 |
| Clogp | -0.1449 |
| Clogs | -0.732 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 102.94 |
| Relative Psa | 0.66398 |
| Polar Surface Area | 84.14 |
| Druglikeness | 0.076926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.46471 |
| Molecular Complexity | 0.7083 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | NC(c1conc1)=S |
| InChIKey | InChI=1S/C4H4N2OS/c5-4(8)3-1-6-7-2-3/h1-2H,(H2,5,8) |
| InChI | GWYHFVWUAHLFNY-UHFFFAOYSA-N |
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1 — isoxazole-4-carbothioamide | 2 — isoxazole-4-carbothioamide