4,4-Di(methylmercapto)-3-buten-2-one CAS 17649-86-4

Purity 97%+In StockPharmaceutical Standards
CAS No.17649-86-4
Molecular FormulaC6H10OS2
Molecular Weight162.27 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4,4-Di(methylmercapto)-3-buten-2-one CAS 17649-86-4 chemical structure

Description

Structurally, 4,4-Di(methylmercapto)-3-buten-2-one (C6H10OS2) contains sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 162.27 g/mol, it falls into the medium-molecular-weight range.

4,4-Di(methylmercapto)-3-buten-2-one (CAS 17649-86-4) is a high-purity analytical reference standard with the molecular formula C6H10OS2 and a molecular weight of 162.27 g/mol.

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 FormulaC6H10OS2
Molecular Weight162.27 g/mol
Purity97%+
StorageStore at 2-8°C
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityStable under recommended storage conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1962
Sulfur Atoms2

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