基本情報
- 標準SMILES
C[N+](C)(C)CCS- InChIKey
VFUGTBZQGUVGEX-UHFFFAOYSA-O- 分子式
- C5H14NS+
- 平均分子量
- 120.24 g/mol
- 単同位体質量
- 120.08414687
概要
A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain.
名称と識別子
- 優先名称
- Thiocholine
- IUPAC
- trimethyl(2-sulfanylethyl)azanium
名称と別名
名称をさらに表示
データベース識別子
- CAS
625-00-3- PubChem CID
- 37851
- DTXSID
DTXSID50978088- ChEMBL
CHEMBL136145、CHEMBL147699- UNII
- AC55E7DP9S
- Nikkaji
- J221.587J
物性
構造計算による物性
- XLogP
- 0.6
- 極性表面積
- 1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 7
- 形式電荷
- 1
- 複雑度
- 46.5
実験および物理化学的性質
化学と産業
薬理情報
MeSH Pharmacological Classification
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)
関連反応
関連ノート
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