2-Butylbenzo[d]isothiazol-3(2H)-one

Name: 2-Butylbenzo[d]isothiazol-3(2H)-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 4299-07-4
Cat. No. CS-0163043
Purity≥96%
MDL No.MFCD09751282

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Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

2-Butylbenzo[d]isothiazol-3(2H)-one|CS-0163043

Structure of 4299-07-4

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Description

2-Butylbenzo[d]isothiazol-3(2H)-one delivers potent, broad-spectrum antimicrobial activity with enhanced stability in aqueous and organic media. This bench-stable heterocycle integrates seamlessly into formulation workflows, offering robust biocidal performance without compromising chemical integrity under standard handling conditions.

Application

2-Butylbenzo[d]isothiazol-3(2H)-one serves as a stable, bench-ready heterocyclic building block for medicinal chemistry and materials science. Its core structure enables efficient incorporation into bioactive scaffolds due to favorable electronic properties and metabolic stability. The butyl substituent enhances lipophilicity and modulates solubility, facilitating downstream functionalization via nucleophilic substitution or transition-metal-catalyzed coupling. The isothiazolone ring system exhibits robust reactivity in conjugate addition processes and functions effectively as a cysteine-targeting warhead in covalent inhibitor design.

General Information

CAS No. 4299-07-4
Cat. No. CS-0163043
Purity ≥96%
MDL No. MFCD09751282
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₃NOS
Molecular Weight 207.29
Synonym(s) None
SMILES O=C1C2=C(SN1CCCC)C=CC=C2

Computational Chemistry Data

TPSA 22
LogP 2.8631
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

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-P330-P362+P364-P405-P501

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Key Words

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2-Butylbenzo[d]isothiazol-3(2H)-one

CAS No. 4299-07-4

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