| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 12 | No |
Popular Name: 2,1,3-benzothiadiazole-5-carboxylic acid 2,1,3-benzothiadiazole-5-carboxy…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16405-98-4 , [16405-98-4]
2$l^{4},1,3-benzothiadiazole-5-carboxylic acid
2,1,3-Benzothiadiazole-5-carboxylic acid, 97%
2-(4-Hydrazinylphenyl)-N-methylethanesulfonamide
Benzo-2,1,3-thiadiazole-5-carboxylic acid
Benzo[1,2,5]thiadiazole-5-carboxylic acid
benzo[1,2,5]thiadiazole-5-carboxylicacid
| 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) | 1.92 | 3.18 | -42.71 | 0 | 4 | -1 | 66 | 179.18 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 223 - 225 | Enamine Building Blocks |
| MP | 223...225 | Enamine Building Blocks |
| MP | 226° | Matrix Scientific |
| Melting_Point | 228-230? | Alfa-Aesar |
| Melting_Point | 228-230° | Alfa-Aesar |
| Mp [°C] | 229 - 231 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| 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.