メチル硫酸トリメチルスルホニウム

Trimethylsulfonium methyl sulfate

HCID 2760871

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2181-44-4
標準SMILES: COS(=O)(=O)[O-].C[S+](C)C
InChIKey: ANXKZXRDXAZQJT-UHFFFAOYSA-M
分子式: C4H12O4S2
平均分子量: 188.3 g/mol
単同位体質量: 188.01770086

名称と識別子

優先名称: Trimethylsulfonium methyl sulfate
IUPAC: methyl sulfate;trimethylsulfanium
現地名: メチル硫酸トリメチルスルホニウム
英語名: Trimethylsulfonium methyl sulfate
分子式: C4H12O4S2
分子量: 188.26

名称と別名

Trimethylsulfonium methyl sulfate2181-44-4DTXSID80375389RefChem:386486DTXCID40326418627-446-4trimethylsulfonium methylsulfateTRIMETHYLSULFONIUMMETHYLSULFATEmethyl sulfate;trimethylsulfaniumMFCD00012205trimethylsulfanium methyl sulfateSCHEMBL243128

名称をさらに表示

メチル硫酸トリメチルスルホニウムTrimethylsulfonium methosulfatemethylsulfate,trimethylsulfaniumTrimethylsulphoniumMethylsulphate99%Trimethylsulfonium methylsulfate,98%Trimethylsulfoxonium methyl chlorideTrimethylsulfonium methyl sulfate 98%Trimethylsulphonium Methylsulphate 99%

methyl sulfate;trimethylsulfoniumtrimethylsulphonium methylsulphateC4H12O4S2trimethylsulfonium methyl sulphatetrimethyl sulfonium methyl sulfatetrimethylsulphonium methyl-sulphateAKOS025294919FT183931

データベース識別子

CAS: 2181-44-4
PubChem CID: 2760871
DTXSID: DTXSID80375389
EC Number: 627-446-4

物性

構造計算による物性

極性表面積: 75.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 98.7

物理化学的性質

融点: 92 · 92-94 °C (lit.)
外見: 結晶性粉末
色: 白い
InChI: InChI=1S/C3H9S.CH4O4S/c1-4(2)3;1-5-6(2,3)4/h1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey: ANXKZXRDXAZQJT-UHFFFAOYSA-M
SMILES: [S+](C)(C)C.S([O-])(=O)(=O)OC

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.