Lot numbers can be found on the outside label of a product:
2-Butylbenzo[d]isothiazol-3(2H)-one
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CAS No. 4299-07-4
- Cat. No. CS-0163043
- Purity≥96%
- MDL No.MFCD09751282
*For research and further manufacturing use only, not for direct human use.
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Structure of 4299-07-4
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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
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.
Synthesis
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Route1
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86212-65-9 -
109-73-9
- ~81%
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In-stock
4299-07-4
References
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Shimizu, Masao; Shimazaki, Teruaki; Yoshida, Tetsuya; Ando, Wataru; Konakahara, Takeo Tetrahedron, 2012 , vol. 68, # 21 p. 3932 - 3936
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Route2
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1236311-86-6
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109-73-9
- ~89%
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In-stock
4299-07-4
References
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Shimizu, Masao; Shimazaki, Teruaki; Yoshida, Tetsuya; Ando, Wataru; Konakahara, Takeo Tetrahedron, 2012 , vol. 68, # 21 p. 3932 - 3936
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Route3
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3950-02-5
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109-73-9
- ~81%
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In-stock
4299-07-4
References
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Pietka-Ottlik, Magdalena; Potaczek, Piotr; Piasecki, Egbert; Mlochowski, Jacek Molecules, 2010 , vol. 15, # 11 p. 8214 - 8228
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 22
- LogP 2.8631
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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