| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 9 | No |
Popular Name: (5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methanol (5-mercapto-4-methyl-4H-1,2,4-tr…
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CAS Numbers: 65029-36-9 , [65029-36-9]
(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methanol
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(hydroxymethyl)-4-methyl-
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(hydroxymethyl)-4-methyl- (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) | -1.11 | 0.67 | -15.45 | 2 | 4 | 0 | 54 | 145.187 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.38 | 0.59 | -47.52 | 1 | 4 | -1 | 51 | 144.179 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 189 - 191 | Enamine Building Blocks |
| MP | 189...191 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
