2-Cyano-2-propyl 4-cyanobenzodithioate 2-Cyanoprop-2-yl 4-cyanodithiobenzoate 4-Cyanobenzenecarbodithioic acid 1-cyano-1-methylethyl ester 851729-48-1 CAS 851729-48-1

Purity 97%+In StockPharmaceutical Standards
CAS No.851729-48-1
Molecular FormulaC12H16N2S2
Molecular Weight252.40 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Cyano-2-propyl 4-cyanobenzodithioate
2-Cyanoprop-2-yl 4-cyanodithiobenzoate
4-Cyanobenzenecarbodithioic acid 1-cyano-1-methylethyl ester
851729-48-1 CAS 851729-48-1 chemical structure

Description

The occurrence of 2-Cyano-2-propyl 4-cyanobenzodithioate 2-Cyanoprop-2-yl 4-cyanodithiobenzoate 4-Cyanobenzenecarbodithioic acid 1-cyano-1-methylethyl ester 851729-48-1 is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-Cyano-2-propyl 4-cyanobenzodithioate 2-Cyanoprop-2-yl 4-cyanodithiobenzoate 4-Cyanobenzenecarbodithioic acid 1-cyano-1-methylethyl ester 851729-48-1 (CAS 851729-48-1), a certified reference material (molecular formula C12H16N2S2, MW 252.40 g/mol) for analytical method development and quality control.

Based on its molecular formula C12H16N2S2, 2-Cyano-2-propyl 4-cyanobenzodithioate 2-Cyanoprop-2-yl 4-cyanodithiobenzoate 4-Cyanobenzenecarbodithioic acid 1-cyano-1-methylethyl ester 851729-48-1 contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 252.40 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 2-Cyano-2-propyl 4-cyanobenzodithioate 2-Cyanoprop-2-yl 4-cyanodithiobenzoate 4-Cyanobenzenecarbodithioic acid 1-cyano-1-methylethyl ester 851729-48-1 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 FormulaC12H16N2S2
Molecular Weight252.40 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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms2
Sulfur Atoms2

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