| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 2nd, 2008 | 14 | No |
Popular Name: 9H-1,3,4,9-Tetraaza-fluorene-2-thiol 9H-1,3,4,9-Tetraaza-fluorene-2-t…
Find On: PubMed — Wikipedia — Google
CAS Number: 28668-95-3
2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione
3-Mercapto-5H-1,2,4-triazino[5,6-b]indole
3-Mercaptoindolo[2,3-e]-1,2,4-triazine
5H-[1,2,4]triazino[5,6-b]indol-3-yl hydrosulfide
| 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) | 2.23 | 4.39 | -50.41 | 1 | 4 | -1 | 54 | 201.234 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 4.07 | -63.85 | 0 | 4 | 0 | 52 | 200.226 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 85 - 90 | Enamine Building Blocks |
| MP | 85...90 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| MP | >350° | Oakwood Chemical |
| MP | >3510° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
