In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2008 | 13 | No |
Popular Name: potassium 4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate potassium 4-phenyl-5-thioxo-4,5-…
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CAS Numbers: 17654-88-5 , 6336-51-2
1,3,4-thiadiazole-2(3H)-thione, 5-mercapto-3-phenyl-, potassium salt
1,3,4-thiadiazole-2-thiolate, 4,5-dihydro-4-phenyl-5-thioxo-, monopotassium salt
5-mercapto-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
5-Mercapto-3-phenyl-1,3,4-thiadiazole-2(3H)thione potassium salt
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) | 2.18 | 6.45 | -33.25 | 0 | 2 | -1 | 18 | 225.343 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97 | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.