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2,2'-Thiodiethanthiol
2-MERCAPTOETHYL SULFIDE · CHLUMICRYI DMES · 1,4,7-Trithiaheptane · 2,2'-THIODIETHANTHIOL · 2,2'-THIODIETHANETHLOL · 2,2'-Thiodiethanethiol · 2,2’-thiobis-ethanethio · 2-mercaptoethyl sulphide
Identifikatoren & physikalische Daten
| CAS No. | 3570-55-6 |
|---|---|
| Summenformel | C4H10S3 |
| Durchschnittliche Molmasse | 154,3 g/mol |
| Monoisotopische Masse | 153,99446332 g/mol |
| SMILES | SCCSCCS |
| InChIKey | KSJBMDCFYZKAFH-UHFFFAOYSA-N |
| PubChem CID | 77117 |
| ChEMBL | CHEMBL3182274 |
| EC No. | 222-671-0 |
| DTXSID | DTXSID4044660 |
| Lokaler Name | 2,2'-Thiodiethanthiol |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 26,1 |
| Physical Description | Liquid |
| Schmelzpunkt | -11°C |
| Siedepunkt | 135-136 °C10 mm Hg(lit.) |
| Dichte | 1.183 g/mL at 25 °C(lit.) |
| Dampfdruck | 0.61Pa at 20℃ |
| Brechungsindex | n20/D 1.5961(lit.) |
| Flammpunkt | 195 °F |
| Löslichkeit | Difficult to mix.620mg/L at 20℃ |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.47±0.10(Predicted) |
| Farbe | Clear colorless |
| BRN | 1445994 |
| InChI | 1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2 |
| InChIKey | KSJBMDCFYZKAFH-UHFFFAOYSA-N |
| SMILES | SCCSCCS |
| LogP (Verteilungskoeffizient) | 2.52 at 20℃ |
| CAS Datenbank | 3570-55-6(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanethiol, 2,2'-thiobis-(3570-55-6) |
| EPA chemische Informationen | Ethanethiol, 2,2'-thiobis- (3570-55-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1% (1 of 100) of reports.DangerH301 (30%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 100 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Ethanethiol, 2,2'-thiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanethiol, 2,2'-thiobis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).Status: Cease Manufacture Update: 17-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24589 |
| Hazard Classes and Categories | Acute Tox. 3 (30%)Resp. Sens. 1 (100%) |
| F | 10-13-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 2930.90.9250 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,2-Thiodiethanol is used in the synthesis of novel luminescent polynuclear gold(I) phosphine complexes 2,2'-Thiodiethanethiol is used for extraction photometric determination of Ni, gives color reaction with metals.