1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4-[(phenylthioxomethyl)thio]pentanoic Acid 4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid Dithiobenzoic Acid 1-Cyano-1-methyl-3-carboxypropyl Ester CAS 201611-92-9

Purity 97%+In StockPharmaceutical Standards
CAS No.201611-92-9
Molecular FormulaC13H19NO2S2
Molecular Weight285.43 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate
201611-92-9
4-(4-Cyanopentanoic Acid) Dithiobenzoate
4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid
4-Cyano-4-(thiobenzoylthio)pentanoic acid
4-Cyano-4-[(phenylthioxomethyl)thio]pentanoic Acid
4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid
6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid
Dithiobenzoic Acid 1-Cyano-1-methyl-3-carboxypropyl Ester CAS 201611-92-9 chemical structure

Description

The occurrence of 1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4-[(phenylthioxomethyl)thio]pentanoic Acid 4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid Dithiobenzoic Acid 1-Cyano-1-methyl-3-carboxypropyl Ester is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4-[(phenylthioxomethyl)thio]pentanoic Acid 4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid Dithiobenzoic Acid 1-Cyano-1-methyl-3-carboxypropyl Ester (CAS 201611-92-9) is a high-purity analytical reference standard with the molecular formula C13H19NO2S2 and a molecular weight of 285.43 g/mol.

The molecular framework of 1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4-[(phenylthioxomethyl)thio]pentanoic Acid 4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid Dithiobenzoic Acid 1-Cyano-1-methyl-3-carboxypropyl Ester (C13H19NO2S2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.

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

As a certified reference material (CRM), 1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4-[(phenylthioxomethyl)thio]pentanoic Acid 4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid Dithiobenzoic Acid 1-Cyano-1-methyl-3-carboxypropyl Ester 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 FormulaC13H19NO2S2
Molecular Weight285.43 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2014
Nitrogen Atoms1
Sulfur Atoms2

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