| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 18 | No |
Popular Name: (5E)-5-(3-isopropoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (5E)-5-(3-isopropoxybenzylidene)…
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CAS Numbers: 127378-77-2 , [127378-77-2]
(5E)-5-[3-(propan-2-yloxy)benzylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
(E)-5-(3-Isopropoxybenzylidene)-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) | 3.05 | 4.57 | -39 | 0 | 3 | -1 | 45 | 278.378 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 6.34 | -10.79 | 1 | 3 | 0 | 42 | 279.386 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
