5-Bromo-3-methylisothiazole

Name: 5-Bromo-3-methylisothiazole
Brand: ChemScene
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CAS No. 20493-60-1
Cat. No. CS-0136608
Purity≥95%
MDL No.MFCD01318949

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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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Structure of 20493-60-1

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Description

5-Bromo-3-methylisothiazole is a heterocyclic compound featuring a bromine atom at the 5-position and a methyl group at the 3-position of the isothiazole ring. This electron-deficient scaffold enables direct functionalization in cross-coupling reactions, serving as a stable building block for bioactive molecule synthesis. Its bench-stable nature facilitates handling under standard conditions.

Application

5-Bromo-3-methylisothiazole serves as a versatile building block for the synthesis of bioactive heterocycles, enabling direct functionalization at the 5-position via palladium-catalyzed cross-coupling. The bromine substituent provides high reactivity in Suzuki, Stille, and Negishi reactions, while the methyl group enhances solubility and modulates electronic properties. Bench-stable and compatible with diverse reaction conditions, it facilitates efficient access to isothiazole-based scaffolds relevant to medicinal chemistry and agrochemical development.

General Information

CAS No. 20493-60-1
Cat. No. CS-0136608
Purity ≥95%
MDL No. MFCD01318949
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₄BrNS
Molecular Weight 178.05
Synonym(s) 5-BROMO-3-METHYL-ISOTHIAZOLE
SMILES CC1=NSC(Br)=C1

Computational Chemistry Data

TPSA 12.89
LogP 2.21402
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isothiazole compounds

Key Words

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5-Bromo-3-methylisothiazole

CAS No. 20493-60-1

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