Chemical Name - 2-Mercaptopyrimidine
Mol Weight - 112.156
Smiles - Sc1ncccn1
Mol Weight - 112.156
Smiles - Sc1ncccn1
| Property Value | |
| Mol Name | 2-Mercaptopyrimidine |
| Molweight | 112.156 |
| Monoisotopic Mass | 112.009518 |
| Clogp | 0.2795 |
| Clogs | -1.487 |
| H Acceptors | 2 |
| Total Surface Area | 86.64 |
| Relative Psa | 0.5142 |
| Polar Surface Area | 64.58 |
| Druglikeness | -4.1306 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Complexity | 0.64864 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 2 |
| Smiles | Sc1ncccn1 |
| InChIKey | InChI=1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7) |
| InChI | HBCQSNAFLVXVAY-UHFFFAOYSA-N |
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