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5-Cyclopropyl-1,3,4-thiadiazol-2-amine
5-CYCLOPROPYL-1,3,4-THIADIAZOL-2-AMINE · AKOS B006180 · AKOS BBS-00007011 · BUTTPARK 52\11-33 · 2-Amino-5-cyclopropyl-1,3,4-thiadiazole · 5-Cyclopropyl-2-aMino-1,3,4-thiadiazole · 1,3,4-Thiadiazol-2-amine, 5-cyclopropyl- · 2-AMINO-5-CYCLOPROPANYL-1,3,4-THIADIAZOLE
Identifikatoren & physikalische Daten
| CAS No. | 57235-50-4 |
|---|---|
| Summenformel | C5H7N3S |
| Durchschnittliche Molmasse | 141,2 g/mol |
| Monoisotopische Masse | 141,03606822 g/mol |
| SMILES | Nc1nnc(C2CC2)s1 |
| InChIKey | AVLUMBXGKFNNAS-UHFFFAOYSA-N |
| PubChem CID | 717021 |
| ChEMBL | CHEMBL5187718 |
| EC No. | 809-328-6 |
| DTXSID | DTXSID90352040 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 80 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 115 |
| Schmelzpunkt | 214-216°C |
| Siedepunkt | 310.8±25.0 °C(Predicted) |
| Dichte | 1.476±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Löslichkeit | Methanol (Sparingly), Water (Slightly, Heated, Sonicated)Soluble in Methanol. Insoluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.05±0.10(Predicted) |
| Farbe | Off-White to Pale Beige |
| BRN | 124356 |
| Stabilität | Store in freezer at -20°C |
| CAS Datenbank | 57235-50-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Zollcode | 2934999090 |
| R-Sätze (R) | 25 |
| Gefahrensymbole | Xi,T |
| Sicherheitshinweise (S) | 22-24/25-45 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
2-Amino-5-cyclopropyl-1,3,4-thiadiazole is used as antibacterial agent.