Chemical Name - Thiourea Dioxide
Mol Weight - 108.121
Smiles - NC([NH2+]([O-])=O)=S
Mol Weight - 108.121
Smiles - NC([NH2+]([O-])=O)=S
| Property Value | |
| Mol Name | Thiourea Dioxide |
| Molweight | 108.121 |
| Monoisotopic Mass | 107.999348 |
| Clogp | -1.13 |
| Clogs | -1.233 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 72.91 |
| Relative Psa | 0.9354 |
| Polar Surface Area | 117.84 |
| Druglikeness | -7.3362 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.72949 |
| Molecular Complexity | 0.89588 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Sp3 Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | NC([NH2+]([O-])=O)=S |
| InChIKey | InChI=1S/CH4N2O2S/c2-1(6)3(4)5/h3H2,(H2,2,6) |
| InChI | ZXWATZFZBOGSBD-UHFFFAOYSA-N |
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