2-Nitroethane-1-thiol CAS 53770-80-2

Purity 97%+In StockPharmaceutical Standards
CAS No.53770-80-2
Molecular FormulaC2H5NO2S
Molecular Weight107.13 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Nitroethane-1-thiol CAS 53770-80-2 chemical structure

Description

2-Nitroethane-1-thiol (CAS 53770-80-2) is a high-purity analytical reference standard with the molecular formula C2H5NO2S and a molecular weight of 107.13 g/mol.

Structurally, 2-Nitroethane-1-thiol (C2H5NO2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 107.13 g/mol, it falls into the low-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC2H5NO2S
Molecular Weight107.13 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)1.0
CAS Registry Year (est.)1972
Nitrogen Atoms1
Sulfur Atoms1

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