Tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-3(2H)-one 1,1-dioxide

Name: Tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-3(2H)-one 1,1-dioxide
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CAS No. 150018-65-8
Cat. No. CS-0911992
Molecule weight176.19
Purity≥97%
MDL No.MFCD24393322

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Tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-3(2H)-one 1,1-dioxide|CS-0911992

Structure of 150018-65-8

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General Information

CAS No. 150018-65-8
Cat. No. CS-0911992
Purity ≥97%
MDL No. MFCD24393322
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₈N₂O₃S
Molecular Weight 176.19
Synonym(s) None
SMILES O=C(N1)C(CCC2)N2S1(=O)=O

Description

Tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-3(2H)-one 1,1-dioxide is a bench-stable, electron-deficient heterocycle featuring a sulfonamide-like dioxide moiety that enhances solubility and metabolic stability. This rigid, nitrogen-rich scaffold integrates readily into bioactive molecules, offering enhanced binding affinity in medicinal chemistry applications.

Application

Tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-3(2H)-one 1,1-dioxide serves as a stable, bench-ready heterocyclic building block for medicinal chemistry campaigns. Its fused sulfonamide core enables reliable participation in nucleophilic substitution and cross-coupling reactions, with demonstrated compatibility across diverse functional groups. The molecule functions as a key scaffold in the synthesis of bioactive compounds, particularly those requiring constrained, polarized heterocycles.

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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Computational Chemistry Data

TPSA 66.48
LogP -1.1746
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Amide

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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Tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-3(2H)-one 1,1-dioxide

CAS No. 150018-65-8

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