| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 7 | No |
Popular Name: 2-Mercaptopyrimidine 2-Mercaptopyrimidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 131242-36-9 , 1450-85-7
2(1H)-Pyrimidinethione (8CI,9CI)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.22 | 2.64 | -24.82 | 1 | 2 | 0 | 29 | 112.157 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 2.19 | -45.47 | 0 | 2 | -1 | 26 | 111.149 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 230 | Acros Organics |
| Purity | 97% | Fluorochem |
| Melting_Point | ca 230? dec. | Alfa-Aesar |
| Melting_Point | ca 230° dec. | Alfa-Aesar |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.