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1,5-Diphenyl-3-thiocarbazon
DIPHENYLTHIOCARBAZONE · dithizon · Dithizone (min. 98%) · 1,5-diphenyl-3-thiocarbazone · (E)-1,5-diphenylthiocarbazone · Diazenecarbothioic acid, 2-phenyl-, 2-phenylhydrazide · Ditizon · DITHIZONE
Identifikatoren & physikalische Daten
| CAS No. | 60-10-6 |
|---|---|
| Summenformel | C13H12N4S |
| Durchschnittliche Molmasse | 256,33 g/mol |
| Monoisotopische Masse | 256,07826738 g/mol |
| SMILES | S=C(N=Nc1ccccc1)NNc1ccccc1 |
| InChIKey | UOFGSWVZMUXXIY-UHFFFAOYSA-N |
| PubChem CID | 657262 |
| ChEMBL | CHEMBL1492000 |
| ChEBI | CHEBI:177759 |
| DTXSID | DTXSID0058770 |
| Lokaler Name | 1,5-Diphenyl-3-thiocarbazon |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 80,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 281 |
| Arzneimittel | Pharmaceutical |
| Löslichkeit | 31.8 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)Soluble in ethanol, chloroform, dimethylsulfoxide, and pyridine. Insoluble in water. |
| Schmelzpunkt | 168 °C (dec.) (lit.) |
| Siedepunkt | 376.1±25.0 °C(Predicted) |
| Dichte | 1.2578 (rough estimate) |
| Brechungsindex | 1.5700 (estimate) |
| Lagerbedingungen | no restrictions. |
| Aggregatzustand | Crystalline |
| pKa (Säurekonstante) | pK1:4.50pK2:15 (25°C) |
| Farbe | Black powder |
| Merck | 14,3377 |
| BRN | 748838 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C13H12N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18) |
| InChIKey | UOFGSWVZMUXXIY-UHFFFAOYSA-N |
| SMILES | S=C(NNc2ccccc2)N=Nc1ccccc1 |
| CAS Datenbank | 60-10-6(CAS DataBase Reference) |
| EPA chemische Informationen | Diazenecarbothioic acid, phenyl-, 2-phenylhydrazide (60-10-6) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29309090 |
| RTECS-Nr. | LQ9450000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 36-26 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Dithizone is an organosulfur compound that acts as a chelating agent and forms complexes with metals such as lead and mercury. Dithizone is used to assess the purity of human pancreatic islet preparations used for transplantation into patients with type 1 diabetes.