Basic information
- CAS
155450-08-1- Standard SMILES
C[N+](C)(C)CCSS(C)(=O)=O.[Br-]- InChIKey
DZWJBKUVHJSHAR-UHFFFAOYSA-M- Molecular formula
- C6H16BrNO2S2
- Average molar mass
- 278.2 g/mol
- Monoisotopic mass
- 276.98058285
Overview
RN given for bromide; used in dopamine analysis
Names & identifiers
- Preferred name
- (2-(Trimethylammonium)ethyl)methanethiosulfonate
- IUPAC
- trimethyl(2-methylsulfonylsulfanylethyl)azanium bromide
- English name
- (2-(trimethylammonium)ethyl)methanethiosulfonate
- Molecular formula
- C6H16BrNO2S2
- Molecular weight
- 278.23074
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
155450-08-1- PubChem CID
- 107933
- DTXSID
DTXSID50935217- ChEMBL
CHEMBL1253297
Properties
Computed structural properties
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 198
Chemistry & industry
Pharmacology
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)
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.
Related reactions
2 records
Compound notes
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