| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | No |
Popular Name: 2,3-DIHYDRO-6-ISOTHIOCYANATO-1,4-PHTHALAZINEDIONE 2,3-DIHYDRO-6-ISOTHIOCYANATO-1,4…
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CAS Number: 107807-39-6
1,4-Phthalazinedione, 2,3-dihydro-6-isothiocyanato- (9CI)
2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione [HPLC Labeling Reagent for Chemiluminescent]
| 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) | 2.43 | -0.61 | -42.71 | 1 | 5 | -1 | 81 | 218.217 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 41 | TCI |
| Purity | 98% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.