| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | No |
Popular Name: 4-Pyridin-3-ylpyrimidine-2(1H)-thione 4-Pyridin-3-ylpyrimidine-2(1H)-t…
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CAS Numbers: , 393516-77-3 , [393516-77-3]
2(1H)-pyrimidinethione, 4-(3-pyridinyl)-
4-(3-Pyridinyl)-2-thioprimidine
4-(3-Pyridinyl)-2-thiopyrimidine
4-(3-PYRIDINYL)PYRIMIDINE-2-THIOL
4-(pyridin-3-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) | 0.60 | 4.48 | -26.02 | 1 | 3 | 0 | 42 | 189.243 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 4.01 | -48.68 | 0 | 3 | -1 | 39 | 188.235 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 4.43 | -23.96 | 1 | 3 | 0 | 42 | 189.243 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | 99% | APIChem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.