HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Thioacetazon
tbi · Thiosemicarbazone · Thioacetazone · TB 1 · Tb I · Antib · Tibon · Tubin
Identifikatoren & physikalische Daten
| CAS No. | 104-06-3 |
|---|---|
| Summenformel | C10H12N4OS |
| Durchschnittliche Molmasse | 236,3 g/mol |
| Monoisotopische Masse | 236,07318219 g/mol |
| SMILES | CC(=O)Nc1ccc(C=NNC(N)=S)cc1 |
| InChIKey | SRVJKTDHMYAMHA-UHFFFAOYSA-N |
| PubChem CID | 2733749 |
| EC No. | 203-170-6 |
| DTXSID | DTXSID2022593 |
| Lokaler Name | Thioacetazon |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 112 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 285 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 1.7 |
| Schmelzpunkt | 225-230 °C |
| Dichte | 1.2752 (rough estimate) |
| Brechungsindex | 1.6440 (estimate) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | Soluble in DMSO |
| pKa (Säurekonstante) | 11.35±0.70(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Acetamide, N-4-(aminothioxomethyl)hydrazonomethylphenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29309090 |
| RTECS-Nr. | AE3850000 |
| R-Sätze (R) | 22 |
| Toxizität | LD50 s.c. in mice: 1-2 g/kg (Bavin) |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36 |
Anwendungen & Verwendung
Verwenden
Thiacetazone (cas# 104-06-3) is used in combination chemotherapy, in preparation of nucleosides as inhibitors of adenylate-forming enzyme MenE.