2-Mercaptobenzothiazole-6-carbonitrile CAS 315228-79-6

Purity 97%+In StockPharmaceutical Standards
CAS No.315228-79-6
Molecular FormulaC8H4N2S2
Molecular Weight192.26 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Mercaptobenzothiazole-6-carbonitrile CAS 315228-79-6 chemical structure

Description

2-Mercaptobenzothiazole-6-carbonitrile (CAS 315228-79-6), molecular formula C8H4N2S2 and molecular weight 192.26 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-Mercaptobenzothiazole-6-carbonitrile (C8H4N2S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 192.26 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC8H4N2S2
Molecular Weight192.26 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms2
Sulfur Atoms2

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