tert-Butyl isothiocyanate tert-butyliso thiocyanate t-butyl isothiocyanate butyl isothiocyanate, tert- tert butyl isothiocyanate 2-isothiocyanato-2-methylpropane 590-42-1 CAS 590-42-1

Purity 97%+In StockPharmaceutical Standards
CAS No.590-42-1
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl isothiocyanate tert-butyliso thiocyanate t-butyl isothiocyanate butyl isothiocyanate, tert- tert butyl isothiocyanate 2-isothiocyanato-2-methylpropane 590-42-1 CAS 590-42-1 chemical structure

Description

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.

tert-Butyl isothiocyanate tert-butyliso thiocyanate t-butyl isothiocyanate butyl isothiocyanate, tert- tert butyl isothiocyanate 2-isothiocyanato-2-methylpropane 590-42-1 (CAS 590-42-1), molecular formula C5H9NS and molecular weight 115.20 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, tert-Butyl isothiocyanate tert-butyliso thiocyanate t-butyl isothiocyanate butyl isothiocyanate, tert- tert butyl isothiocyanate 2-isothiocyanato-2-methylpropane 590-42-1 (C5H9NS) contains a nitrile group, sulfur-containing functionality. 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 115.20 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.

As a certified reference material (CRM), tert-Butyl isothiocyanate tert-butyliso thiocyanate t-butyl isothiocyanate butyl isothiocyanate, tert- tert butyl isothiocyanate 2-isothiocyanato-2-methylpropane 590-42-1 meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1957
Nitrogen Atoms1
Sulfur Atoms1

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