2-{[(4-bromophenyl)sulfanyl]methyl}-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine CAS 796067-65-7

Purity 97%+In StockPharmaceutical Standards
CAS No.796067-65-7
Molecular FormulaC15H12BrClN2S2
Molecular Weight399.76 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-{[(4-bromophenyl)sulfanyl]methyl}-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine CAS 796067-65-7 chemical structure

Description

The occurrence of 2-{[(4-bromophenyl)sulfanyl]methyl}-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-{[(4-bromophenyl)sulfanyl]methyl}-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine (CAS 796067-65-7), molecular formula C15H12BrClN2S2 and molecular weight 399.76 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C15H12BrClN2S2, 2-{[(4-bromophenyl)sulfanyl]methyl}-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 399.76 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.

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

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC15H12BrClN2S2
Molecular Weight399.76 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentCl/Br-containing
Nitrogen Atoms2
Sulfur Atoms2

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