| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 16 | No |
Popular Name: 3-Allyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 3-Allyl-2-mercapto-5,6-dimethyl-…
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CAS Number: 51486-16-9
3-Allyl-5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
3-Allyl-5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, 96%
5,6-dimethyl-3-(prop-2-en-1-yl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-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) | 2.04 | 7.33 | -10.22 | 1 | 3 | 0 | 38 | 252.364 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 6.89 | -38.39 | 0 | 3 | -1 | 41 | 251.356 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 202-203? | Alfa-Aesar |
| Melting_Point | 202-203° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
