| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 20 | No |
Popular Name: 2-[(2,4-dichlorobenzyl)sulfanyl]-6-[(methylsulfanyl)methyl]-4-pyrimidinol 2-[(2,4-dichlorobenzyl)sulfanyl]…
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CAS Number: 860609-68-3
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| 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) | 4.76 | 7.3 | -14.98 | 1 | 3 | 0 | 46 | 347.292 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.22 | 6.45 | -46.09 | 0 | 3 | -1 | 49 | 346.284 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.76 | 7.74 | -16.14 | 1 | 3 | 0 | 46 | 347.292 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 188 - 189 | KeyOrganics |
