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5-Amino-1,2,4-thiadiazole
1,2,4-THIADIAZOL-5-AMINE · 5,10-DIHYDROINDOLO... · 1,2,4-Thiadiazole-5-aMine · 5-AMINO-1,2,4-THIADIAZOLE · 1,2,4-THIADIAZOL-5-YLAMINE · 1,2,4-Thiadiazole, 5-amino- · 1,2,4-Thiadiazol-5-amine(9CI) · 5-AMino-1,2,4-thiadiazole HCl
Identifikatoren & physikalische Daten
| CAS No. | 7552-07-0 |
|---|---|
| Summenformel | C2H3N3S |
| Durchschnittliche Molmasse | 101,13 g/mol |
| Monoisotopische Masse | 101,0047681 g/mol |
| SMILES | Nc1ncns1 |
| InChIKey | VJHTZTZXOKVQRN-UHFFFAOYSA-N |
| PubChem CID | 290274 |
| ChEMBL | CHEMBL295053 |
| EC No. | 672-155-8 |
| DTXSID | DTXSID90302767 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 80 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 48,1 |
| Schmelzpunkt | 112-115°C |
| Siedepunkt | 238.9±23.0 °C(Predicted) |
| Dichte | 1.495±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 3.97±0.50(Predicted) |
| Farbe | Yellow |
| InChI | InChI=1S/C2H3N3S/c3-2-4-1-5-6-2/h1H,(H2,3,4,5) |
| InChIKey | VJHTZTZXOKVQRN-UHFFFAOYSA-N |
| SMILES | S1C(N)=NC=N1 |
| CAS Datenbank | 7552-07-0(CAS DataBase Reference) |
| NIST chemische Informationen | 5-Amino-1,2,4-thiadiazole(7552-07-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H332 (95%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2934999090 |
| R-Sätze (R) | 20/22 |
| Gefahrensymbole | Xi,Xn |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
5-Amino-1,2,4-thiadiazole is a useful research chemical for organic synthesis and other chemical processes.