| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 9 | No |
Popular Name: 2-Mercaptonicotinonitrile 2-Mercaptonicotinonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 52505-45-0 , [52505-45-0]
| 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) | 1.14 | 3.51 | -47.56 | 0 | 2 | -1 | 37 | 135.171 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 248 - 250 | KeyOrganics |
| MP | 248-250° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.