| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 16 | No |
Popular Name: (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (5E)-5-(2,5-dimethylbenzylidene)…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 153567-96-5 , [153567-96-5]
(E)-5-(2,5-Dimethylbenzylidene)-2-mercaptothiazol-4(5H)-one
| 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) | 3.11 | 4.94 | -40.92 | 0 | 2 | -1 | 36 | 248.352 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.65 | 6.73 | -7.66 | 1 | 2 | 0 | 33 | 249.36 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.