| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 10 | Yes |
Popular Name: 1,2-benzisothiazol-3(2H)-one 1,2-benzisothiazol-3(2H)-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2634-33-5 , 58249-25-5 , [2634-33-5] , [58249-25-5]
"1,2-Benzisothiazol-3(2H)-one, 98%"
1,2-Benzisothiazolin-3-one sodium salt, 98%+
1,2-Benzoisothiazolin-3-one, sodium salt
| 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 | 0.92 | -50.81 | 0 | 2 | -1 | 36 | 150.182 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 147 - 149 | Enamine Building Blocks |
| MP | 147...149 | Enamine Building Blocks |
| Melting_Point | 154-158? | Alfa-Aesar |
| MP | 154-158° | Matrix Scientific |
| MP | 155-160° | Oakwood Chemical |
| MP | 158 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| Purity | 99% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0853478A1; EP0912176A1; EP0923570A1; EP0934309A1; EP1042291A1; EP1044197A2; EP1060163A1; US4113728; US4212872; US4212979; US4243669; US4350702; WO1997048397A1; WO1999031060A2; WO1999031063A1; WO1999031064A1; WO2000054771A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| UniProt Database Links | SDR3A_ARATH; SHPS1_HUMAN; SHPS1_MOUSE; SHPS1_RAT | ChEBI |
| Purity | ¡Ý99.0%£¨HPLC£© | APIChem |
