Benzo[d]thiazole-4-carboxylic acid

Name: Benzo[d]thiazole-4-carboxylic acid
Brand: ChemScene
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CAS No. 1260529-67-6
Cat. No. CS-W007076
Purity≥95%
MDL No.MFCD20040407

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Benzo[d]thiazole-4-carboxylic acid|CS-W007076

Structure of 1260529-67-6

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General Information

CAS No. 1260529-67-6
Cat. No. CS-W007076
Purity ≥95%
MDL No. MFCD20040407
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅NO₂S
Molecular Weight 179.20
Synonym(s) 4-Benzothiazolecarboxylic acid
SMILES O=C(C1=C2N=CSC2=CC=C1)O

Description

Benzo[d]thiazole-4-carboxylic acid features a rigid fused heterocyclic core with a carboxylic acid group at the 4-position, enabling direct integration into bioactive scaffolds. The electron-deficient aromatic system enhances reactivity in coupling processes, while the polar carboxylate facilitates solubility and derivatization under mild conditions. This structure supports applications in medicinal chemistry and materials science.

Application

Benzo[d]thiazole-4-carboxylic acid serves as a versatile building block for heterocyclic scaffolds in medicinal chemistry and materials science. Its carboxylic acid functionality enables direct amidation, esterification, and coupling reactions under standard conditions. The benzo[d]thiazole core exhibits excellent bench stability, good solubility in common organic solvents, and tolerance to diverse functional groups, facilitating its use in multi-step syntheses of bioactive molecules and functional polymers.

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 50.19
LogP 1.9945
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiazole compounds

Key Words

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Benzo[d]thiazole-4-carboxylic acid

CAS No. 1260529-67-6

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