In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 12 | No |
Popular Name: 1-(2,5-Dichlorophenyl)-2-thiourea 1-(2,5-Dichlorophenyl)-2-thiourea
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4949-85-3 , [4949-85-3]
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) | 2.26 | 4.54 | -10.82 | 3 | 2 | 0 | 38 | 221.112 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 4.58 | -37.03 | 2 | 2 | -1 | 38 | 220.104 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 192-193° | Matrix Scientific |
Melting_Point | 192-195? | Alfa-Aesar |
Melting_Point | 192-195° | Alfa-Aesar |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.