Lot numbers can be found on the outside label of a product:
Benzo[b]thiophene-3(2H)-one 1,1-Dioxide
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CAS No. 1127-35-1
- Cat. No. CS-0156011
- Purity≥96%
- MDL No.MFCD00159164
*For research and further manufacturing use only, not for direct human use.
![Benzo[b]thiophene-3(2H)-one 1,1-Dioxide|CS-0156011](https://file.chemscene.com/productPIC/CS-0156011.gif)
Structure of 1127-35-1
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General Information
- CAS No. 1127-35-1
- Cat. No. CS-0156011
- Purity ≥96%
- MDL No. MFCD00159164
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆O₃S
- Molecular Weight 182.20
- Synonym(s) 3-Oxo-2,3-Dihydrobenzo[B]Thiophene 1,1-Dioxide
- SMILES C1=CC=C2C(=C1)C(=O)CS2(=O)=O
Description
Benzo[b]thiophene-3(2H)-one 1,1-Dioxide features a rigid, electron-deficient heterocyclic core with dual sulfonyl functionalities that enhance solubility and stability. This scaffold integrates readily into pharmaceutical intermediates and materials chemistry, offering robust performance under standard bench conditions.
Application
Benzo[b]thiophene-3(2H)-one 1,1-dioxide serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to complex scaffolds through established coupling and functionalization reactions. Its sulfone moiety enhances metabolic stability and modulates solubility, while the core structure exhibits excellent bench stability and compatibility with standard synthetic protocols. Functions as a key intermediate in the construction of bioactive molecules and API candidates.
Synthesis
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Route1
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In-stock
98-86-2 - ~14%
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In-stock
1127-35-1
References
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Comptes Rendus Chimie, , vol. 17, # 5 p. 443 - 449
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Route2
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128545-30-2 - ~99%
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In-stock
1127-35-1
References
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Tetrahedron, , vol. 53, # 27 p. 9365 - 9376
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Route3
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87419-51-0 -
1165952-91-9
- ~40%
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In-stock
1127-35-1
References
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Journal of Organic Chemistry USSR (English Translation), , vol. 20, # 2 p. 278 - 286 Zhurnal Organicheskoi Khimii, , vol. 20, # 2 p. 313 - 322
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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 51.21
- LogP 0.6566
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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