Benzo[d]thiazole-4-carbaldehyde

Name: Benzo[d]thiazole-4-carbaldehyde
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CAS No. 1213833-90-9
Cat. No. CS-0442600
Purity≥98%
MDL No.None

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Benzo[d]thiazole-4-carbaldehyde|CS-0442600

Structure of 1213833-90-9

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General Information

CAS No. 1213833-90-9
Cat. No. CS-0442600
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅NOS
Molecular Weight 163.20
Synonym(s) 4-Benzothiazolecarboxaldehyde
SMILES C1=CC(=C2C(=C1)SC=N2)C=O

Description

Benzo[d]thiazole-4-carbaldehyde features a rigid heteroaromatic core fused with a reactive aldehyde group, enabling direct integration into bioactive scaffolds. This bench-stable compound serves as a key building block for pharmaceutical intermediates and functional materials, particularly in the development of kinase inhibitors and fluorescent probes.

Application

Benzo[d]thiazole-4-carbaldehyde serves as a versatile building block in medicinal chemistry and materials science, enabling efficient construction of biologically active heterocycles. Its aldehyde functionality facilitates nucleophilic addition, reductive amination, and Ugi-type reactions, while the fused benzothiazole core offers enhanced metabolic stability and π-conjugation. The compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for high-throughput synthesis and scale-up applications.

Safety Information

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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 29.96
LogP 2.1088
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiazole compounds

Key Words

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Benzo[d]thiazole-4-carbaldehyde

CAS No. 1213833-90-9

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