HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 736607Erstellt: 24. Oktober 2026
2-Aminothiophene-3-carbonitrile
2-AMINOTHIOPHENE-3-CARBONITRILE · AKOS 92285 · AKOS B014697 · Compound Fr16663 · AKOS BBS-00006621 · BUTTPARK 36\18-34 · ART-CHEM-BB B014697 · TIMTEC-BB SBB005484
https://huagongshe.com/de/chemical/736607
Identifikatoren & physikalische Daten
| CAS No. | 4651-82-5 |
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| Summenformel | C5H4N2S |
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| Durchschnittliche Molmasse | 124,17 g/mol |
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| Monoisotopische Masse | 124,00951913 g/mol |
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| SMILES | N#Cc1ccsc1N |
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| InChIKey | XVGHZFWFGXDIOU-UHFFFAOYSA-N |
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| PubChem CID | 736607 |
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| ChEMBL | CHEMBL5218826 |
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| EC No. | 610-308-2 |
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| DTXSID | DTXSID90353072 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 78,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 126 |
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| Schmelzpunkt | 104-108 °C |
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| Siedepunkt | 318℃ |
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| Dichte | 1.33 |
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| Flammpunkt | 146℃ |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Aggregatzustand | powder to crystalline |
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| pKa (Säurekonstante) | -0.28±0.10(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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| InChI | InChI=1S/C5H4N2S/c6-3-4-1-2-8-5(4)7/h1-2H,7H2 |
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| InChIKey | XVGHZFWFGXDIOU-UHFFFAOYSA-N |
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| SMILES | C1(N)SC=CC=1C#N |
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| CAS Datenbank | 4651-82-5(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 7 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. 4 (95.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3439 |
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| Zollcode | 2934999090 |
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| R-Sätze (R) | 20/21/22-36/37/38-41-37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 36/37-39-26 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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