| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 18 | No |
Popular Name: 5-[4-(Diethylamino)phenyl]-4-methyl-4H-1,2,4-triazole-3-thiol 5-[4-(Diethylamino)phenyl]-4-met…
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CAS Numbers: 669748-04-3 , [669748-04-3]
5-(4-(Diethylamino)phenyl)-4-methyl-4H-1,2,4-triazole-3-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) | 2.42 | 8.94 | -10.7 | 1 | 4 | 0 | 37 | 262.382 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 9.04 | -29.24 | 2 | 4 | 0 | 38 | 263.39 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 9.13 | -70.41 | 1 | 4 | 0 | 35 | 262.382 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 9.03 | -47.64 | 0 | 4 | -1 | 34 | 261.374 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
