| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2008 | 9 | No |
Popular Name: 6-sulfanylnicotinonitrile 6-sulfanylnicotinonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 27885-58-1 , [27885-58-1]
| 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) | 1.19 | 3.62 | -38.84 | 0 | 2 | -1 | 37 | 135.171 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.19 | 3.91 | -22.49 | 1 | 2 | 0 | 38 | 136.179 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 239 - 241 | Enamine Building Blocks |
| MP | 239...241 | Enamine Building Blocks |
| melting_point | 242 - 244 | KeyOrganics |
| MP | 242-244° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.