6-Bromo-2-(methylthio)benzo[d]thiazole

Name: 6-Bromo-2-(methylthio)benzo[d]thiazole
Brand: ChemScene
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CAS No. 474966-97-7
Cat. No. CS-0150094
Purity≥95%
MDL No.MFCD15143559

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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6-Bromo-2-(methylthio)benzo[d]thiazole|CS-0150094

Structure of 474966-97-7

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General Information

CAS No. 474966-97-7
Cat. No. CS-0150094
Purity ≥95%
MDL No. MFCD15143559
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrNS₂
Molecular Weight 260.17
Synonym(s) 6-Bromo-2-(methylthio)benzothiazole
SMILES CSC1=NC2=C(C=C(C=C2)Br)S1

Description

6-Bromo-2-(methylthio)benzo[d]thiazole is a bench-stable, electron-deficient heterocycle featuring a bromine at the 6-position and a methylthio group at the 2-position. This combination enables direct functionalization in cross-coupling reactions and facilitates incorporation into bioactive scaffolds. The fused thiazole core provides rigidity and enhanced solubility in polar organic solvents, supporting efficient downstream derivatization in medicinal chemistry and materials science applications.

Application

6-Bromo-2-(methylthio)benzo[d]thiazole serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive bromine substituent. The methylthio group enhances solubility and provides orthogonal reactivity for selective transformations. This compound functions effectively in the construction of biologically relevant scaffolds and is valued for its bench stability and compatibility with standard synthetic protocols.

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 12.89
LogP 3.7807
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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6-Bromo-2-(methylthio)benzo[d]thiazole

CAS No. 474966-97-7

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