| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 12 | No |
Popular Name: 4-(3-Chlorophenyl)-3-thiosemicarbazide 4-(3-Chlorophenyl)-3-thiosemicar…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 42135-76-2 , [42135-76-2]
| 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) | 0.55 | 3.85 | -10.07 | 4 | 3 | 0 | 50 | 201.682 | 3 | ↓ |
| Ref Reference (pH 7) | 2.07 | 3.77 | -9.15 | 4 | 3 | 0 | 52 | 201.682 | 2 | ↓ |
| Ref Reference (pH 7) | 2.07 | 3.57 | -9.51 | 4 | 3 | 0 | 52 | 201.682 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 3.69 | -38.95 | 3 | 3 | -1 | 50 | 200.674 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 3.45 | -37.39 | 3 | 3 | -1 | 50 | 200.674 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 119-120° | Matrix Scientific |
| Melting_Point | 130-133? | Alfa-Aesar |
| Melting_Point | 130-133° | Alfa-Aesar |
| Warnings | IRRITANT | Matrix Scientific |
