2-((5-Imino-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one CAS 401577-30-8

Purity 97%+In StockPharmaceutical Standards
CAS No.401577-30-8
Molecular FormulaC8H12N4OS2
Molecular Weight244.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((5-Imino-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one CAS 401577-30-8 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-((5-Imino-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one.

2-((5-Imino-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one (CAS 401577-30-8) is a high-purity analytical reference standard with the molecular formula C8H12N4OS2 and a molecular weight of 244.34 g/mol.

Based on its molecular formula C8H12N4OS2, 2-((5-Imino-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 244.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC8H12N4OS2
Molecular Weight244.34 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms4
Sulfur Atoms2

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