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HCID 598Erstellt: 25. Oktober 2026
2-Mercaptoethansulfonsure
Com · Hs-com · C03576 · Reduced CoM · Reduced coenzyme M · 2-Mercaptoethanesulfonate · MERCAPTOETHANESULFONIC ACID · 2-MERCAPTOETHANESULFONIC ACID
https://huagongshe.com/de/chemical/598
Identifikatoren & physikalische Daten
| CAS No. | 3375-50-6 |
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| Summenformel | C2H6O3S2 |
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| Durchschnittliche Molmasse | 142,2 g/mol |
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| Monoisotopische Masse | 141,9758364 g/mol |
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| SMILES | O=S(=O)(O)CCS |
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| InChIKey | ZNEWHQLOPFWXOF-UHFFFAOYSA-N |
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| PubChem CID | 598 |
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| ChEMBL | CHEMBL1098319 |
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| ChEBI | CHEBI:17905 |
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| EC No. | 222-167-0 |
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| DTXSID | DTXSID8023264 |
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| Lokaler Name | 2-Mercaptoethansulfonsure |
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Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
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| Polarare Oberfläche (TPSA) | 63,8 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 118 |
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| Physical Description | Clear, colorless liquid.Solid |
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| Dichte | 1.25 g/mL at 20 °C |
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| Löslichkeit | DMSO |
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| Aggregatzustand | Powder |
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| pKa (Säurekonstante) | pK1:pK2:9.5(－1) (20°C) |
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| Farbe | Colorless to light yellow |
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| BRN | 1098878 |
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| InChI | 1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5) |
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| InChIKey | ZNEWHQLOPFWXOF-UHFFFAOYSA-N |
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| SMILES | OS(=O)(=O)CCS |
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| CAS Datenbank | 3375-50-6(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (41 of 41) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 41 of 41 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 41 of 41 reports by companies.There are 0 notifications provided by 0 of 41 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
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| Gefahrenübersicht | Intravenous LD50 (rat) = 1,800 mg/kg[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Pierce Biotechnology MSDS] See Methanesulfonic acid. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%)Not Classified |
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| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
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| Effects During Pregnancy and Lactation | ◉ Summary of Use during LactationNo information is available on the clinical use of mesna during breastfeeding. Because it is used with toxic drugs such as ifosfamide, the manufacturer recommends to not breastfeed during treatment and for 1 week after the last dose of mesna or ifosfamide.◉ Effects in Breastfed InfantsRelevant published information was not found as of the revision date.◉ Effects on Lactation and Breastmilk |
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| F | 10-23 |
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| Wassergefährdungsklasse (WGK) | 2 |
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| UN-Transportnummer | UN 3265 8/PG 3 |
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| R-Sätze (R) | 34 |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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| Gefahrenklasse | Skin Corr. 1B |
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