Lot numbers can be found on the outside label of a product:
2-Methylbenzo[d]thiazole-5-carboxylic acid
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CAS No. 24851-69-2
- Cat. No. CS-W019372
- Purity≥96%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
![2-Methylbenzo[d]thiazole-5-carboxylic acid|CS-W019372](https://file.chemscene.com/productPIC/CS-W019372.gif)
Structure of 24851-69-2
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General Information
- CAS No. 24851-69-2
- Cat. No. CS-W019372
- Purity ≥96%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇NO₂S
- Molecular Weight 193.22
- Synonym(s) 5-Benzothiazolecarboxylicacid,2-methyl-(8CI,9CI)
- SMILES CC1=NC2=C(S1)C=CC(=C2)C(O)=O
Description
2-Methylbenzo[d]thiazole-5-carboxylic acid features a fused benzothiazole core with a methyl group at the 2-position and a carboxylic acid at the 5-position, delivering enhanced solubility and reactivity. This scaffold serves as a key building block in medicinal chemistry, enabling direct incorporation into bioactive molecules through amide coupling or derivatization. The electron-deficient heterocycle supports stable conjugation in drug candidates.
Application
2-Methylbenzo[d]thiazole-5-carboxylic acid serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to bioactive heterocycles. Its carboxylic acid functionality facilitates direct coupling reactions and derivatization under standard conditions, while the fused thiazole core provides enhanced metabolic stability and π-conjugation. The methyl group at the 2-position offers a handle for further functionalization and influences electronic properties. This compound exhibits excellent bench stability and is readily purified by recrystallization or chromatography, making it well-suited for high-throughput synthesis and process development.
Synthesis
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Route1
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In-stock
![2-Methylbenzo[d]thiazole-5-carbaldehyde|CS-0213072](https://file.chemscene.com/productPIC/CS-0213072.gif)
20061-46-5 - ~%
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In-stock
24851-69-2
References
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EP1445249 A1, ; Page 132 ;
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Route2
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64-19-7 -
In-stock
96-99-1 - ~64%
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In-stock
24851-69-2
References
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Huang, Qingqing; Mao, Jialin; Wan, Baojie; Wang, Yuehong; Brun, Reto; Franzblau, Scott G.; Kozikowski, Alan P. Journal of Medicinal Chemistry, 2009 , vol. 52, # 21 p. 6757 - 6767
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Route3
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In-stock
![2-Methylbenzo[d]thiazole-5-carbonitrile|CS-0043741](https://file.chemscene.com/productPIC/CS-0043741.gif)
90418-93-2 - ~%
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In-stock
24851-69-2
References
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Zhurnal Obshchei Khimii, , vol. 22, p. 2209,2214; engl. Ausg. S. 2267, 2271
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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 50.19
- LogP 2.30292
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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