| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 13 | Yes |
Popular Name: 2-[2-(methylsulfanyl)phenoxy]acetic acid 2-[2-(methylsulfanyl)phenoxy]ace…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3395-40-2 , 370882-99-8 , [3395-40-2]
| 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) | 1.63 | 5.46 | -52.03 | 0 | 3 | -1 | 49 | 197.235 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 167 - 168 | KeyOrganics |
| MP | 167-168° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
