2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide
TL;DR: 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide (CAS 63816-11-5) is a chemical compound with molecular formula C10H9BrClNO2S and molecular weight 320.92258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide
Also Known As: Benzothiazolium, 3-(carboxymethyl)-5-chloro-2-methyl-, bromide, 3-(carboxymethyl)-6-chloro-2-methyl-1,3-benzothiazol-3-ium bromide, Benzothiazolium, 3-(carboxymethyl)-5-chloro-2-methyl-, bromide (1:1), 2-(6-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide
Technical Specifications
| Molecular Formula | C10H9BrClNO2S |
| Molecular Weight | 320.92258 g/mol |
| XLogP | -0.76 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.92258 Da |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| SMILES | CC1=[N+](C2=C(S1)C=C(C=C2)Cl)CC(=O)O.[Br-] |
| InChIKey | ZSCWDGNQIJWGDG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide
Property Insights of 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide
The XLogP value of -0.76 indicates that 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide. Following Lipinski's Rule of Five, 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide?
The CAS number of 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide is 63816-11-5.
What is the molecular formula of 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide?
The molecular formula of 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide is C10H9BrClNO2S.
What is the molecular weight of 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide?
The molecular weight of 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide is 320.92258 g/mol.
Where can I buy 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide?
You can request a quote for 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide?
Yes, CoreyChem provides custom synthesis services for 2-(6-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.