S-Methylmethanthiosulfonat

S-Methyl methanethiosulfonate

HCID 18064CAS 2949-92-0
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Grundinformationen

Standard-SMILES
CSS(C)(=O)=O
InChIKey
XYONNSVDNIRXKZ-UHFFFAOYSA-N
Summenformel
C2H6O2S2
Durchschnittliche Molmasse
126,2 g/mol
Monoisotopische Masse
125,98092143

Überblick

S-methyl methanethiosulfonate is a sulfonic acid derivative obtained by condensaton of methanesulfonic acid with methanethiol. It has a role as a metabolite. It is a sulfonic acid derivative and a thiosulfonate ester. It is functionally related to a methanethiol and a methanesulfonic acid.

Namen und Bezeichner

Bevorzugter Name
S-Methyl methanethiosulfonate
IUPAC
methylsulfonylsulfanylmethane
Lokaler Name
S-Methylmethanthiosulfonat
Englischer Name
S-Methyl methanethiolsulfonate
Summenformel
C2H6O2S2
Molmasse
126.2

Namen und Synonyme

2949-92-0S-Methyl methanethiosulfonateS-Methyl methanesulfonothioateMethyl methanethiosulfonateMethyl methanethiolsulfonateMethanesulfonothioic acid, S-methyl esterMMTSmethylsulfonylsulfanylmethaneS-Methyl methanethiosulphonateMethyl methanesulfonothioate(METHANESULFONYLSULFANYL)METHANEDTXSID8062739
Weitere Namen anzeigen
METHANETHIOSULFONIC ACID S-METHYL ESTERNSC 21545dimethyl thiosulfonateNeticonazole Impurity 14
METHANESULFONIC ACID, THIO-, S-METHYL ESTERNSC-215450906Z2356UCHEBI:74357RefChem:157941DTXCID3038012220-970-0s-methyl methanethiolsulfonate

Datenbank-Bezeichner

CAS
2949-92-0
PubChem CID
18064
DTXSID
DTXSID8062739
ChEMBL
CHEMBL1236925
ChEBI
CHEBI:74357
UNII
0906Z2356U
EC Number
220-970-0
Nikkaji
J149.996C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0
Polarare Oberfläche (TPSA)
67,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesChemical shift
Flavoring AgentsEU Flavoring substances
Solubilityslightly
Boiling Point266.00 to 267.00 °C. @ 760.00 mm Hg
Physical DescriptionClear yellow liquid with a stench; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
117 · 117.0-119.0 °C
Siedepunkt
69 · 69-71 °C0.4 mm Hg(lit.)
Dichte
1.337 g/mL · 1.337 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.513(lit.)
Flammpunkt
190 °F · 190 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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

Hazards SummaryIntraperitoneal 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 CategoriesSkin Irrit. 2 (96.7%)

Sicherheitsdaten

F
13
wgk
2
tsca
TSCA listed
ridadr
3334
hs_code
29309090
RTECS-Nr.
PB2765000

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

UsesMMTS (methyl methanethiosulfonate) is a small compound that reversibly blocks cysteines and other sulfhydryl groups, enabling the study of enzyme activation and other protein functions. [Pierce Protein Biology Products]
General Manufacturing InformationMethanesulfonothioic acid, S-methyl ester: ACTIVE

Anwendungen

VerwendenS-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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A sulfonic acid derivative obtained by condensaton of methanesulfonic acid with methanethiol.

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