(2-(Trimethylammonium)ethyl)methanethiosulfonate

HCID 107933CAS 155450-08-1

部分構造検索類似構造を探す

基本情報

標準SMILES: C[N+](C)(C)CCSS(C)(=O)=O.[Br-]
InChIKey: DZWJBKUVHJSHAR-UHFFFAOYSA-M
分子式: C6H16BrNO2S2
平均分子量: 278.2 g/mol
単同位体質量: 276.98058285

概要

RN given for bromide; used in dopamine analysis

名称と識別子

優先名称: (2-(Trimethylammonium)ethyl)methanethiosulfonate
IUPAC: trimethyl(2-methylsulfonylsulfanylethyl)azanium bromide
英語名: (2-(trimethylammonium)ethyl)methanethiosulfonate
分子式: C6H16BrNO2S2
分子量: 278.23074

名称と別名

Mtset cpd155450-08-1(2-(Trimethylammonium)ethyl)methanethiosulfonateRefChem:68558MTSET91774-25-3[2-(Trimethylammonium)ethyl]methanethiosulfonate Bromidetrimethyl(2-methylsulfonylsulfanylethyl)azanium;bromideN,N,N-Trimethyl-2-((methylsulfonyl)thio)ethanaminium bromideDTXSID50935217DZWJBKUVHJSHAR-UHFFFAOYSA-MCHEMBL1253297

名称をさらに表示

SCHEMBL29532155GLXC-01911N,N,N-Trimethyl-2-((methylthio)sulfonyl)ethanaminium bromideAKOS030239832N,N,N-Trimethyl-2-((methylsulfonyl)thio)ethanaminiumbromide[2-(METHANESULFONYLSULFANYL)ETHYL]TRIMETHYLAZANIUM BROMIDEEthanaminium, N,N,N-trimethyl-2-((methylthio)sulfonyl)-, bromide2-[(Methanesulfonyl)sulfanyl]-N,N,N-trimethylethan-1-aminium bromide

データベース識別子

CAS: 155450-08-1
PubChem CID: 107933
DTXSID: DTXSID50935217
ChEMBL: CHEMBL1253297

物性

構造計算による物性

極性表面積: 67.8 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: 4
重原子数: 12
形式電荷: 0
複雑度: 198

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Chemical agents that react with SH groups. This is a chemically diverse group that is used for a variety of purposes. Among these are enzyme inhibition, enzyme reactivation or protection, and labelling.