| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | No |
Popular Name: 3-Nitrothioanisole 3-Nitrothioanisole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2524-76-7 , [2524-76-7]
| 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) | 2.31 | 1.36 | -7.68 | 0 | 3 | 0 | 46 | 169.205 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 133-134°/4 Torr | Matrix Scientific |
| MP | 14 | TCI |
| MP | 14° | Matrix Scientific |
| BP | 92 / 1 | TCI |
| Purity | 97% | Matrix Scientific |
| Purity | 99%min | APIChem |
| Warnings | IRRITANT, STENCH | Matrix Scientific |
| Warnings | Irritant/Stench | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.