| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: Benzothiazolone Benzothiazolone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 74343-69-4 , 934-34-9 , [934-34-9]
| 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) | 1.82 | 2.74 | -6.83 | 1 | 2 | 0 | 33 | 151.19 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 0.77 | -43.33 | 0 | 2 | -1 | 36 | 150.182 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 136 - 138 | Enamine Building Blocks |
| Melting_Point | 136-140? | Alfa-Aesar |
| Melting_Point | 136-140° | Alfa-Aesar |
| MP | 136...138 | Enamine Building Blocks |
| MP | 137 - 140 | Enamine Building Blocks |
| MP | 137-140° | Oakwood Chemical |
| MP | 141 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| UniProt Database Links | HBL_ZEAMP | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.