| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | No |
Popular Name: 5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-thiol 5-(4-Chlorophenyl)-1,3,4-oxadiaz…
Find On: PubMed — Wikipedia — Google
CAS Number: 23766-28-1
1,3,4-oxadiazole-2-thiol, 5-(4-chlorophenyl)-
5-(4-Chloro-phenyl)-[1,3,4]oxadiazole-2-thiol
5-(4-chlorophenyl)-1,3,4-oxadiazole-2(3H)-thione
| 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) | 3.00 | 1.21 | -37.58 | 0 | 3 | -1 | 39 | 211.653 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.28 | 1.99 | -8.76 | 1 | 3 | 0 | 42 | 212.661 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 169-170? | Alfa-Aesar |
| Melting_Point | 169-170° | Alfa-Aesar |
| MP | 88 - 90 | Enamine Building Blocks |
| MP | 88...90 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
