HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 98708Erstellt: 27. Oktober 2026
Methyl-[[(methoxycarbonyl)amino](methylthio)methylen]carbamat
Fenbendazole Thiourea Compound · 2-Methylisothiourea-1,3-dicarboxylate · 1,3-Bis(carbomethoxy)-S-methylisothiourea · 1,3-dicarboxymethyl-2-methyl-2-thioisourea · 1,3-bis(methoxycarbonyl)-S-methylisothiourea · 1,3-Bis-(methoxycarbonyl)-2-methylisothiourea · 3-Bis(Methoxycarbonyl)-2-Methyl-2-thiopseudourea · 1,3-BIS(METHOXYCARBONYL)-2-METHYL-2-THIO-PSEUDOUR
https://huagongshe.com/de/chemical/98708
Identifikatoren & physikalische Daten
| CAS No. | 34840-23-8 |
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| Summenformel | C6H10N2O4S |
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| Durchschnittliche Molmasse | 206,22 g/mol |
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| SMILES | COC(=O)N=C(NC(=O)OC)SC |
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| InChIKey | KHBXLYPOXVQKJG-UHFFFAOYSA-N |
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| PubChem CID | 98708 |
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| EC No. | 252-240-2 |
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| DTXSID | DTXSID20956313 |
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| Lokaler Name | Methyl-[[(methoxycarbonyl)amino](methylthio)methylen]carbamat |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 102 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 229 |
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| Schmelzpunkt | 102-105 °C(lit.) |
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| Dichte | 1.30±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C, stored under nitrogen |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 6.38±0.46(Predicted) |
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| Farbe | White |
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| Löslichkeit | 1.2g/L at 15℃ |
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| InChI | 1S/C6H10N2O4S/c1-11-5(9)7-4(13-3)8-6(10)12-2/h1-3H3,(H,7,8,9,10) |
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| InChIKey | KHBXLYPOXVQKJG-UHFFFAOYSA-N |
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| SMILES | COC(=O)N\C(SC)=N/C(=O)OC |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 48.8% (41 of 84) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 84 reports by companies from 5 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Status: Active Update: 11-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16641 |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2930909899 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xn |
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| Lagerklasse | 13 - Non Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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Anwendungen & Verwendung
Verwenden
1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea may be used in the following syntheses:methyl (6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)carbamate2-amino-5-benzyl-6-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-onemethyl-{5-[(3-hydroxypropyl)thio]-1H-benzo[d]imidazol-2-yl}carbamate (hydroxyalbendazole)methyl-{5-[(4-hydroxyphenyl)thio]-1H-benzo[d]imidazol-2-yl} carbamate (hydroxyfenbendazole)
methylen]carbamat](/img/chemical/98708.png)