HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 97664Erstellt: 4. November 2026
5-Methylthio-1H-tetrazole
1-Methyl-5-mercapto-tetrazole · 5-methionine tetrazol · 5-methylthiotetrazole · 5-(METHYLTHIO)-1H-TETRAZOLE · 5-(Methylthio)-2H-tetrazole · 2H-Tetrazole, 5-(methylthio)- · 5-methylsulfanyl-2H-tetrazole · 5-(Methylmercapto)-1H-tetrazole
https://huagongshe.com/de/chemical/97664
Identifikatoren & physikalische Daten
| CAS No. | 29515-99-9 |
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| Summenformel | C2H4N4S |
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| Durchschnittliche Molmasse | 116,15 g/mol |
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| Monoisotopische Masse | 116,01566732 g/mol |
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| SMILES | CSc1nn[nH]n1 |
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| InChIKey | ZBXNFTFKKOSPLD-UHFFFAOYSA-N |
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| PubChem CID | 97664 |
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| EC No. | 608-370-0 |
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| DTXSID | DTXSID20183708 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
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| Polarare Oberfläche (TPSA) | 79,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 57,7 |
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| Schmelzpunkt | 149-152 °C(lit.) |
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| Siedepunkt | 293.8±23.0 °C(Predicted) |
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| Dichte | 1.48±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Store at 0-5°C |
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| pKa (Säurekonstante) | 3.83±0.10(Predicted) |
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| Aggregatzustand | solid |
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| InChI | 1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6) |
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| InChIKey | ZBXNFTFKKOSPLD-UHFFFAOYSA-N |
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| SMILES | CSc1nnn[nH]1 |
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| CAS Datenbank | 29515-99-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 36/37/38-5 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-15 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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