HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 313474Erstellt: 26. Oktober 2026
S,S-dimethyl carbonodithioate
S,S-dimethyl carbonodithioate · Bis(methylthio) ketone · DIMETHYLDITHIO CARBONATE · bis(methylthio)methanone · Dimethyl dithiocarboxylate · S,S'-Dimethyl dithiocarbote · S S-DIMETHYL DITHIOCARBONATE · Dimethyldithiocarboxylicacid
https://huagongshe.com/de/chemical/313474
Identifikatoren & physikalische Daten
| CAS No. | 868-84-8 |
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| Summenformel | C3H6OS2 |
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| Durchschnittliche Molmasse | 122,21 g/mol |
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| Monoisotopische Masse | 121,98600681 g/mol |
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| SMILES | CSC(=O)SC |
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| InChIKey | IUXMJLLWUTWQFX-UHFFFAOYSA-N |
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| PubChem CID | 313474 |
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| ChEMBL | CHEMBL4796378 |
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| EC No. | 617-931-9 |
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| DTXSID | DTXSID20310491 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 67,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 6 |
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| Formalladung | 0 |
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| Komplexität | 46,8 |
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| SpringerMaterials Properties | Schoenflies notation |
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| Schmelzpunkt | 133-135 °C |
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| Siedepunkt | 169°C |
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| Dichte | 1.1705 g/mL at 25 °C |
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| Brechungsindex | n20/D 1.5485 |
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| Flammpunkt | 144 °F |
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| Lagerbedingungen | 2-8°C, stored under nitrogen |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Almost colorless |
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| InChI | 1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3 |
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| InChIKey | IUXMJLLWUTWQFX-UHFFFAOYSA-N |
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| SMILES | CSC(=O)SC |
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| CAS Datenbank | 868-84-8(CAS DataBase Reference) |
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| NIST chemische Informationen | Carbonodithioic acid, s,s-dimethyl ester(868-84-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): 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 41 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Status: Active Update: 10-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33713 |
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| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 1 |
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| UN-Transportnummer | UN 3334 |
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| Zollcode | 2930.90.9250 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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