4-Methoxybenzyl Isothiocyanate CAS 3694-57-3

Purity 97%+In StockPharmaceutical Standards
CAS No.3694-57-3
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Methoxybenzyl Isothiocyanate CAS 3694-57-3 chemical structure

Description

Structurally, 4-Methoxybenzyl Isothiocyanate (C9H9NOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 179.24 g/mol, it falls into the medium-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.

4-Methoxybenzyl Isothiocyanate (CAS 3694-57-3) is a high-purity analytical reference standard with the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

CATO manufactures 4-Methoxybenzyl Isothiocyanate 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 FormulaC9H9NOS
Molecular Weight179.24 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1958
Nitrogen Atoms1
Sulfur Atoms1

Related Methoxybenzyl Standards

Recommended Standards

Why CATO?