| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 11 | No |
Popular Name: 2-sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol 2-sulfanyl-6,7-dihydro-5H-cyclop…
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CAS Numbers: 1137014-87-9 , 35563-27-0
2-mercapto-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
2-Mercapto-6,7-dihydro-3H-cyclopentapyrimidin-4(5H)-one
2-sulfanyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol
2-sulfanyl-6,7-dihydro-5h-cyclopenta-[d]pyrimidin-4-ol
2-thioxo-1,2,3,5,6,7-hexahydro-4H-cyclopenta[d]pyrimidin-4-one
2-Thioxo-1,2,3,5,6,7-hexahydro-cyclopentapyrimidin-4-one
2-thioxo-2,3,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-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) | 0.32 | 3.14 | -13.87 | 2 | 3 | 0 | 49 | 168.221 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.78 | 2.73 | -36.56 | 1 | 3 | -1 | 52 | 167.213 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 288 - 290 | Enamine Building Blocks |
| MP | 288...290 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| melting_point | > 320 | KeyOrganics |
| MP | >320° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.