| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2012 | 18 | No |
Popular Name: 3-Allyl-2-mercapto-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-b]pyrimidin-4-one 3-Allyl-2-mercapto-3,4,5,6,7,8-h…
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CAS Number: 42062-91-9
| 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) | 3.61 | 8.34 | -36.42 | 0 | 2 | -1 | 28 | 276.406 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 228-230? | Alfa-Aesar |
| Melting_Point | 228-230° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.