Benzo[b]thiophene 1,1-dioxide

Name: Benzo[b]thiophene 1,1-dioxide
Brand: ChemScene
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CAS No. 825-44-5
Cat. No. CS-0078608
Purity≥98%
MDL No.MFCD00052178

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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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Benzo[b]thiophene 1,1-dioxide|CS-0078608

Structure of 825-44-5

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Description

Benzo[b]thiophene 1,1-dioxide features a sulfur atom oxidized to the sulfinyl level within a fused aromatic system, delivering enhanced polarity and stability. This electron-deficient heterocycle integrates readily into synthetic scaffolds for medicinal chemistry and materials science applications, offering improved solubility and predictable reactivity under standard conditions.

Application

Benzo[b]thiophene 1,1-dioxide serves as a stable, bench-ready sulfone building block for the synthesis of biologically active heterocycles. Its electron-deficient aromatic core enables efficient palladium-catalyzed cross-coupling reactions and facilitates nucleophilic substitution at the 2- and 3-positions. The sulfone group enhances solubility and provides a handle for orthogonal functionalization, making it a practical scaffold in medicinal chemistry and materials science applications.

General Information

CAS No. 825-44-5
Cat. No. CS-0078608
Purity ≥98%
MDL No. MFCD00052178
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆O₂S
Molecular Weight 166.20
Synonym(s) Thianaphthene-1,1-dioxide
SMILES O=S1(C2=CC=CC=C2C=C1)=O

Computational Chemistry Data

TPSA 34.14
LogP 1.4446
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H317
Precautionary Statements : P280-P302+P352-P330

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Benzo[b]thiophene 1,1-dioxide

CAS No. 825-44-5

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