| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 13 | No |
Popular Name: 4-Pyridin-4-ylpyrimidine-2(1H)-thione 4-Pyridin-4-ylpyrimidine-2(1H)-t…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 874779-72-3
2(1H)-pyrimidinethione, 4-(4-pyridinyl)-
4-(pyridin-4-yl)pyrimidine-2-thiol
| 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) | 0.38 | 4.5 | -28.03 | 1 | 3 | 0 | 42 | 189.243 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 4.04 | -49.13 | 0 | 3 | -1 | 39 | 188.235 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.38 | 4.44 | -22.69 | 1 | 3 | 0 | 42 | 189.243 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
