2,4-Dichlorobenzo[4,5]thieno[3,2-d]pyrimidine

Name: 2,4-Dichlorobenzo[4,5]thieno[3,2-d]pyrimidine
Brand: ChemScene
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CAS No. 160199-05-3
Cat. No. CS-0112436
Molecule weight255.12
Purity≥98%
MDL No.MFCD13190347

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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2,4-Dichlorobenzo[4,5]thieno[3,2-d]pyrimidine|CS-0112436

Structure of 160199-05-3

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General Information

CAS No. 160199-05-3
Cat. No. CS-0112436
Purity ≥98%
MDL No. MFCD13190347
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₄Cl₂N₂S
Molecular Weight 255.12
Synonym(s) C10H4Cl2N2S 2,4-dichloro-benzo[4,5]thieno[3,2-d]pyrimidine 160199-05-3
SMILES ClC1=C2C(C3=CC=CC=C3S2)=NC(Cl)=N1

Description

2,4-Dichlorobenzo[4,5]thieno[3,2-d]pyrimidine features a fused polycyclic core combining thiophene and pyrimidine motifs, delivering enhanced electron-deficient character and structural rigidity. This scaffold serves as a high-performance building block in medicinal chemistry, particularly for kinase inhibitors and bioactive heterocycles. The dichloro substitution pattern enhances metabolic stability and modulates electronic properties for targeted interactions.

Application

2,4-Dichlorobenzo[4,5]thieno[3,2-d]pyrimidine serves as a versatile heterocyclic building block for medicinal chemistry and materials science, enabling efficient construction of fused polycyclic scaffolds. Its dual chloro substituents facilitate palladium-catalyzed cross-coupling reactions, while the rigid, planar core supports π-stacking interactions in target-directed synthesis. The compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for iterative synthetic campaigns in API development and functional materials design.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 25.78
LogP 4.1513
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiophene compounds

Key Words

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2,4-Dichlorobenzo[4,5]thieno[3,2-d]pyrimidine

CAS No. 160199-05-3

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