A498ZC6Z4F 591-82-2 Isobutyl isothiocyanate Isothiocyanic acid, isobutyl ester 2-Methylpropyl isothiocyanate Propane, 1-isothiocyanato-2-methyl- (9CI) 4-04-00-00653 (Beilstein Handbook Reference) BRN 1740371 i-Butyl isothiocyanate EINECS 209-733-2 1-Isothiocyanato-2-methylpropane UNII-A498ZC6Z4F CAS 591-82-2

Purity 97%+In StockPharmaceutical Standards
CAS No.591-82-2
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

A498ZC6Z4F 591-82-2 Isobutyl isothiocyanate Isothiocyanic acid, isobutyl ester 2-Methylpropyl isothiocyanate Propane, 1-isothiocyanato-2-methyl- (9CI) 4-04-00-00653 (Beilstein Handbook Reference) BRN 1740371 i-Butyl isothiocyanate EINECS 209-733-2 1-Isothiocyanato-2-methylpropane UNII-A498ZC6Z4F CAS 591-82-2 chemical structure

Description

The molecular framework of A498ZC6Z4F 591-82-2 Isobutyl isothiocyanate Isothiocyanic acid, isobutyl ester 2-Methylpropyl isothiocyanate Propane, 1-isothiocyanato-2-methyl- (9CI) 4-04-00-00653 (Beilstein Handbook Reference) BRN 1740371 i-Butyl isothiocyanate EINECS 209-733-2 1-Isothiocyanato-2-methylpropane UNII-A498ZC6Z4F (C5H9NS) is characterized by a nitrile group, sulfur-containing functionality. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

CATO supplies A498ZC6Z4F 591-82-2 Isobutyl isothiocyanate Isothiocyanic acid, isobutyl ester 2-Methylpropyl isothiocyanate Propane, 1-isothiocyanato-2-methyl- (9CI) 4-04-00-00653 (Beilstein Handbook Reference) BRN 1740371 i-Butyl isothiocyanate EINECS 209-733-2 1-Isothiocyanato-2-methylpropane UNII-A498ZC6Z4F (CAS 591-82-2), a certified reference material (molecular formula C5H9NS, MW 115.20 g/mol) for analytical method development and quality control.

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.

CATO manufactures A498ZC6Z4F 591-82-2 Isobutyl isothiocyanate Isothiocyanic acid, isobutyl ester 2-Methylpropyl isothiocyanate Propane, 1-isothiocyanato-2-methyl- (9CI) 4-04-00-00653 (Beilstein Handbook Reference) BRN 1740371 i-Butyl isothiocyanate EINECS 209-733-2 1-Isothiocyanato-2-methylpropane UNII-A498ZC6Z4F under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

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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