| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 11 | No |
Popular Name: 2-Mercapto-3-(trifluoromethyl)pyridine 2-Mercapto-3-(trifluoromethyl)py…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104040-74-6 , [104040-74-6]
| 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) | 2.28 | 0.59 | -45.3 | 0 | 1 | -1 | 13 | 178.158 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.28 | 0.72 | -28.68 | 1 | 1 | 0 | 14 | 179.166 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 178-183° | Oakwood Chemical |
| melting_point | 179 - 181 | KeyOrganics |
| MP | 180-182° | Matrix Scientific |
| Purity | 95%+ | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.