(1,1-dioxothiolan-3-yl)carbamodithioic acid CAS 114654-31-8

Purity 97%+In StockPharmaceutical Standards
CAS No.114654-31-8
Molecular FormulaC5H9NO2S3
Molecular Weight211.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(1,1-dioxothiolan-3-yl)carbamodithioic acid CAS 114654-31-8 chemical structure

Description

The molecular framework of (1,1-dioxothiolan-3-yl)carbamodithioic acid (C5H9NO2S3) is characterized by an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

(1,1-dioxothiolan-3-yl)carbamodithioic acid (CAS 114654-31-8), molecular formula C5H9NO2S3 and molecular weight 211.33 g/mol, is a CATO reference standard with documented purity and traceability.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC5H9NO2S3
Molecular Weight211.33 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1989
Nitrogen Atoms1
Sulfur Atoms3

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