In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 12 | No |
Popular Name: 4-(2-Chlorophenyl)-3-thiosemicarbazide 4-(2-Chlorophenyl)-3-thiosemicar…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 42135-75-1 , [42135-75-1]
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) | 0.53 | 3.96 | -9.95 | 4 | 3 | 0 | 50 | 201.682 | 3 | ↓ |
Ref Reference (pH 7) | 2.04 | 3.74 | -8.52 | 4 | 3 | 0 | 52 | 201.682 | 2 | ↓ |
Ref Reference (pH 7) | 2.04 | 3.53 | -8.73 | 4 | 3 | 0 | 52 | 201.682 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 3.8 | -41.21 | 3 | 3 | -1 | 50 | 200.674 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 3.62 | -37.78 | 3 | 3 | -1 | 50 | 200.674 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 136-138° | Matrix Scientific |
Melting_Point | 136-140? | Alfa-Aesar |
Melting_Point | 136-140° | Alfa-Aesar |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.