5-Methoxy-1,3,4-thiadiazole-2-carbonitrile CAS 85072-97-5

Purity 97%+In StockPharmaceutical Standards
CAS No.85072-97-5
Molecular FormulaC4H3N3OS
Molecular Weight141.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Methoxy-1,3,4-thiadiazole-2-carbonitrile CAS 85072-97-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 141.15 g/mol gives 5-Methoxy-1,3,4-thiadiazole-2-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-Methoxy-1,3,4-thiadiazole-2-carbonitrile (CAS 85072-97-5) is a high-purity analytical reference standard with the molecular formula C4H3N3OS and a molecular weight of 141.15 g/mol.

Structurally, 5-Methoxy-1,3,4-thiadiazole-2-carbonitrile (C4H3N3OS) contains an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 141.15 g/mol, it falls into the low-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC4H3N3OS
Molecular Weight141.15 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
CAS Registry Year (est.)1981
Nitrogen Atoms3
Sulfur Atoms1

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