Lot numbers can be found on the outside label of a product:
3-Aminobenzo[d]isothiazole 1,1-dioxide
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CAS No. 7668-28-2
- Cat. No. CS-0005542
- Purity≥98%
- MDL No.MFCD06378227
*For research and further manufacturing use only, not for direct human use.
![3-Aminobenzo[d]isothiazole 1,1-dioxide|CS-0005542](https://file.chemscene.com/productPIC/CS-0005542.gif)
Structure of 7668-28-2
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General Information
- CAS No. 7668-28-2
- Cat. No. CS-0005542
- Purity ≥98%
- MDL No. MFCD06378227
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆N₂O₂S
- Molecular Weight 182.20
- Synonym(s) NSC 331994; 3-IMINOSACCHARIN
- SMILES NC(C1=C2C=CC=C1)=NS2(=O)=O
Description
3-Aminobenzo[d]isothiazole 1,1-dioxide features a fused heterocyclic core with a sulfonamide-like oxidation state, delivering enhanced solubility and stability under standard conditions. The para-amino group enables direct functionalization in synthetic sequences, while the electron-deficient ring facilitates coupling reactions. This compound serves as a key scaffold in medicinal chemistry for bioactive molecule design.
Application
3-Aminobenzo[d]isothiazole 1,1-dioxide serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its ortho-amino functionality enables direct coupling reactions and facilitates further functionalization via diazotization or electrophilic substitution. The sulfonamide-like sulfone group enhances solubility and metabolic stability while maintaining bench-stable crystalline form, enabling straightforward purification and integration into complex molecular architectures.
Synthesis
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Route1
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In-stock
![3-Chlorobenzo[d]isothiazole 1,1-dioxide|CS-0071838](https://file.chemscene.com/productPIC/CS-0071838.gif)
567-19-1 - ~92%
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In-stock
7668-28-2
References
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Rode, Haridas B.; Sprang; Besch; Loose; Otto, Hans-Hartwig Pharmazie, 2005 , vol. 60, # 10 p. 723 - 731
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Route2
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![2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile|CS-0672291](https://file.chemscene.com/productPIC/CS-0672291.gif)
80357-08-0 - ~47%
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In-stock
7668-28-2
References
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Rode, Haridas B.; Sprang; Besch; Loose; Otto, Hans-Hartwig Pharmazie, 2005 , vol. 60, # 10 p. 723 - 731
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Route3
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In-stock
81-07-2 - ~12%
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In-stock
7668-28-2
References
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Jensen, Klaus G.; Pedersen, Erik B. Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1981 , vol. 36, # 12 p. 1640 - 1643
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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 : H315-H319-H335
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Precautionary Statements : P264-P302+P352-P304+P340
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Quality Control
Computational Chemistry Data
- TPSA 72.52
- LogP 0.0942
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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