Thiocholine

HCID 37851CAS 625-00-3

기본 정보

표준 SMILES
C[N+](C)(C)CCS
InChIKey
VFUGTBZQGUVGEX-UHFFFAOYSA-O
분자식
C5H14NS+
평균 분자량
120.24 g/mol
단동위원소 질량
120.08414687

개요

A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain.

이름 및 식별자

우선 이름
Thiocholine
IUPAC
trimethyl(2-sulfanylethyl)azanium

이름 및 동의어

THIOCHOLINE625-00-3DTXSID50978088RefChem:189446DTXCID501330669Ethanaminium, 2-mercapto-N,N,N-trimethyl-trimethyl(2-sulfanylethyl)azanium2-(TRIMETHYLAMMONIUM)ETHYL THIOLCHEMBL136145VFUGTBZQGUVGEX-UHFFFAOYSA-ON,N,N-TrimethylcysteamineAC55E7DP9S
이름 더 보기
SCHEMBL135464(2-mercaptoethyl)trimethylammoniumBDBM50055164AKOS0221221172-Mercapto-N,N,N-trimethylethanaminiumDB01803N,N,N-trimethyl-2-sulfanylethanaminiumPD008414

데이터베이스 식별자

CAS
625-00-3
PubChem CID
37851
DTXSID
DTXSID50978088
ChEMBL
CHEMBL136145、CHEMBL147699
UNII
AC55E7DP9S
Nikkaji
J221.587J

물성

구조 계산 물성

XLogP
0.6
극성 표면적
1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
7

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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)

관련 반응

2건

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