| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2008 | 15 | No |
Popular Name: 5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine 5-(4-nitrophenyl)-1,3,4-thiadiaz…
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CAS Numbers: 833-63-6 , [833-63-6]
2-amino-5-(4-nitrophenyl)-1,3,4-thiadiazole
| 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) | 2.02 | 4.31 | -11.88 | 2 | 6 | 0 | 98 | 222.229 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 202 - 204 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 256° (dec) | Matrix Scientific |
| melting_point | 261 - 262 | KeyOrganics |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.