5-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylidene)-1,3-diazinane-2,4,6-trione CAS 866131-57-9

Purity 97%+In StockPharmaceutical Standards
CAS No.866131-57-9
Molecular FormulaC13H9ClN4O3S
Molecular Weight336.75 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylidene)-1,3-diazinane-2,4,6-trione CAS 866131-57-9 chemical structure

Description

The occurrence of 5-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylidene)-1,3-diazinane-2,4,6-trione is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylidene)-1,3-diazinane-2,4,6-trione (CAS 866131-57-9), molecular formula C13H9ClN4O3S and molecular weight 336.75 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 5-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylidene)-1,3-diazinane-2,4,6-trione (C13H9ClN4O3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. 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.

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 5-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylidene)-1,3-diazinane-2,4,6-trione 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 FormulaC13H9ClN4O3S
Molecular Weight336.75 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms4
Sulfur Atoms1

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