Chemical Name - Pyrazinecarbothioamide
Mol Weight - 139.182
Smiles - NC(c1nccnc1)=S
Mol Weight - 139.182
Smiles - NC(c1nccnc1)=S
| Property Value | |
| Mol Name | Pyrazinecarbothioamide |
| Molweight | 139.182 |
| Monoisotopic Mass | 139.020417 |
| Clogp | -0.503 |
| Clogs | -0.069 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 112.01 |
| Relative Psa | 0.58218 |
| Polar Surface Area | 83.89 |
| Druglikeness | -2.0209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.4098 |
| Molecular Complexity | 0.72259 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 2 |
| Smiles | NC(c1nccnc1)=S |
| InChIKey | InChI=1S/C5H5N3S/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) |
| InChI | LIURPUMROGYCLW-UHFFFAOYSA-N |
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1 - Pyrazinecarbothioamide
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