| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 17 | Yes |
Popular Name: 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanoic acid 3-(1,1-dioxido-3-oxo-1,2-benziso…
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CAS Numbers: , 83747-21-1 , [83747-21-1]
1,2-benzisothiazole-2(3H)-propanoic acid, 3-oxo-, 1,1-dioxide
3-(1,1,3-Trioxo-1,3-dihydro-1lambda(6)-benzo[d]isothiazol-2-yl)-propionic acid
3-(1,1,3-Trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-propionic acid
3-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-propionicacid
3-(1,1,3-Trioxo-1,3-dihydro-1lambda6-benzo[d]isothiazol-2-yl)-propionic acid
3-(1,1,3-Trioxo-1,3-dihydrobenzo[d]isothiazol-
3-(1,1,3-Trioxo-1,3-dihydrobenzo[d]isothiazol--2-yl)-propionic acid
3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanoic acid
3-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanoic 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) | -0.01 | 2.51 | -54.71 | 0 | 6 | -1 | 95 | 254.243 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 164 - 166 | Enamine Building Blocks |
| MP | 164-165° | Matrix Scientific |
| MP | 164...166 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
