| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 17 | Yes |
Popular Name: 3,5-Bis(methylsulfonyl)benzoic acid 3,5-Bis(methylsulfonyl)benzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 90536-91-7 , [90536-91-7]
3,5-bis(methylsulfonyl)benzoicacid
3,5-Bis(methylsulphonyl)benzoic acid
| 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) | -0.48 | -6.48 | -60 | 0 | 6 | -1 | 108 | 277.299 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 283-285° | Matrix Scientific |
| Purity | 95%+ | Fluorochem |
| Warnings | Irritant | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.