HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 699495Erstellt: 27. Oktober 2026
2-Aminothiophene-3-carboxamide
2-AMINOTHIOPHENE-3-CARBOXAMIDE · AKOS 93830 · AKOS B014696 · CHEMBRDG-BB 3014696 · ART-CHEM-BB B014696 · TIMTEC-BB SBB007065 · 2-AMino-3-carbaMoylthiophene · 2-AMINO-3-THIOPHENECARBOXAMIDE
https://huagongshe.com/de/chemical/699495
Identifikatoren & physikalische Daten
| CAS No. | 14080-51-4 |
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| Summenformel | C5H6N2OS |
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| Durchschnittliche Molmasse | 142,18 g/mol |
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| Monoisotopische Masse | 142,02008381 g/mol |
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| SMILES | NC(=O)c1ccsc1N |
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| InChIKey | WHZIZZOTISTHCT-UHFFFAOYSA-N |
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| PubChem CID | 699495 |
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| ChEMBL | CHEMBL1335965 |
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| EC No. | 673-555-5 |
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| DTXSID | DTXSID80351401 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 97,4 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 128 |
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| Schmelzpunkt | 153-155°C |
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| Siedepunkt | 321.8±22.0 °C(Predicted) |
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| Dichte | 1.423±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 15.58±0.50(Predicted) |
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| Farbe | White to Orange to Green |
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| InChI | InChI=1S/C5H6N2OS/c6-4(8)3-1-2-9-5(3)7/h1-2H,7H2,(H2,6,8) |
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| InChIKey | WHZIZZOTISTHCT-UHFFFAOYSA-N |
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| SMILES | C1(N)SC=CC=1C(N)=O |
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| CAS Datenbank | 14080-51-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (25%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2934999090 |
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| R-Sätze (R) | 22-36-43 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36/37 |
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| Gefahrenklasse | IRRITANTAcute Tox. 3 OralEye Irrit. 2Skin Sens. 1 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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