| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2006 | 12 | No |
Popular Name: 2-Mercapto-4,5,6-trimethylnicotinonitrile 2-Mercapto-4,5,6-trimethylnicoti…
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CAS Numbers: 128917-84-0 , [128917-84-0]
| 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) | 2.33 | 0.3 | -49.94 | 0 | 2 | -1 | 37 | 177.252 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 276° | Matrix Scientific |
| Purity | 95%+ | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
