In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 12 | No |
Popular Name: 4-(4-Chlorophenyl)-3-thiosemicarbazide 4-(4-Chlorophenyl)-3-thiosemicar…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 22814-92-2 , [22814-92-2]
4-(4-Chlorophenyl)-3-thiosemicarbazide, 97%
4-(4-Chlorophenyl)-thiosemicarbazide
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) | 0.58 | 3.85 | -10.89 | 4 | 3 | 0 | 50 | 201.682 | 3 | ↓ |
Ref Reference (pH 7) | 2.09 | 3.77 | -10.02 | 4 | 3 | 0 | 52 | 201.682 | 2 | ↓ |
Ref Reference (pH 7) | 2.09 | 3.57 | -10.41 | 4 | 3 | 0 | 52 | 201.682 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.26 | 3.7 | -37.31 | 3 | 3 | -1 | 50 | 200.674 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.26 | 3.45 | -35.02 | 3 | 3 | -1 | 50 | 200.674 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 177-178°(dec) | Matrix Scientific |
MP | 179 - 181 | Enamine Building Blocks |
MP | 179...181 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Melting_Point | ca 180? dec. | Alfa-Aesar |
Melting_Point | ca 180° dec. | Alfa-Aesar |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.