1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide

Name: 1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide
Brand: ChemScene
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CAS No. 111248-89-6
Cat. No. CS-0038994
Purity≥97%
MDL No.None

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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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1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide|CS-0038994

Structure of 111248-89-6

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Description

This bench-stable heterocycle features a fused bicyclic core with a sulfonyl group enhancing solubility and electronic modulation. The electron-deficient isothiazole ring facilitates nucleophilic substitution, enabling direct functionalization in late-stage synthesis.

Application

1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide serves as a stable, bench-ready heterocyclic building block for medicinal chemistry and catalytic synthesis. Its sulfonamide-like electronic profile enables selective functionalization at the 5- and 6-positions, while the fused benzene ring enhances metabolic stability. The compound exhibits excellent tolerance to diverse reaction conditions, facilitating downstream derivatization in cross-coupling, nucleophilic substitution, and cycloaddition workflows.

General Information

CAS No. 111248-89-6
Cat. No. CS-0038994
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₇NO₂S
Molecular Weight 169.20
Synonym(s) 1,3-DIHYDRO-2,1-BENZISOTHIAZOLE 2,2-DIOXIDE
SMILES C1=CC2=C(C=C1)NS(=O)(=O)C2

Computational Chemistry Data

TPSA 46.17
LogP 0.9419
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide

CAS No. 111248-89-6

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