HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
S-Methylmethanthiosulfonat
S-METHYL METHANETHIOSULFONATE · S-Methyl methanesulfonothioate · METHYL METHANETHIOLSULFONATE · S-METHYL METHANETHIOSULPHONATE · METHYL METHANETHIOSULFONATE · (methanesulfonylsulfanyl)methane · METHANETHIOSULFONIC ACID S-METHYL ESTER · NSC 21545
Identifikatoren & physikalische Daten
| CAS No. | 2949-92-0 |
|---|---|
| Summenformel | C2H6O2S2 |
| Durchschnittliche Molmasse | 126,2 g/mol |
| Monoisotopische Masse | 125,98092143 g/mol |
| SMILES | CSS(C)(=O)=O |
| InChIKey | XYONNSVDNIRXKZ-UHFFFAOYSA-N |
| PubChem CID | 18064 |
| ChEMBL | CHEMBL1236925 |
| ChEBI | CHEBI:74357 |
| EC No. | 220-970-0 |
| DTXSID | DTXSID8062739 |
| Lokaler Name | S-Methylmethanthiosulfonat |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 106 |
| Stoffklassen | Other Classes -> Sulfur Compounds |
| SpringerMaterials Properties | Chemical shift |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | slightlychloroform: soluble750mg + 5 ml Chloroformmg/mL, colorless to light greenish-yellow |
| Siedepunkt | 266.00 to 267.00 °C. @ 760.00 mm Hg69-71 °C0.4 mm Hg(lit.) |
| Physical Description | Clear yellow liquid with a stench[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 117.0-119.0 °C |
| Dichte | 1.337 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.513(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Red to Green |
| Geruch | at 0.10 % in propylene glycol. sulfurous pungent roasted |
| Geruchsart | sulfurous |
| BRN | 1446059 |
| Stabilität | Water Sensitive |
| Hauptanwendungen | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
| InChI | 1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3 |
| InChIKey | XYONNSVDNIRXKZ-UHFFFAOYSA-N |
| SMILES | CSS(C)(=O)=O |
| LogP (Verteilungskoeffizient) | 0.247 (est) |
| CAS Datenbank | 2949-92-0(CAS DataBase Reference) |
| NIST chemische Informationen | S-methyl methanethiosulphonate(2949-92-0) |
| EPA chemische Informationen | Methanesulfonothioic acid, S-methyl ester (2949-92-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (96.7%): 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 1523 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Methanesulfonothioic acid, S-methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 9.11 mg/kg[RTECS] An irritant that may cause severe eye irritation[Sigma-Aldrich MSDS] See 2-Hydroxypropyl methanethiosulfonate. See Methyl trifluoromethanesulfonate and Ethyl methanesulfonate. |
| Hazard Classes and Categories | Skin Irrit. 2 (96.7%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3334 |
| Zollcode | 29309090 |
| RTECS-Nr. | PB2765000 |
| R-Sätze (R) | 36-36/37/38-20/21/22 |
| Toxizität | mouse,LD50,intraperitoneal,9110ug/kg (9.11mg/kg),Toxicology and Applied Pharmacology. Vol. 72, Pg. 513, 1984. |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANT |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
S-Methyl methanethiolsulfonate is used for the rapid and selective modification of sulfhydryl groups of enzymes and it is also useful for mapping the pore-lining regions of the ryanodine receptor.