![2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid structure](/static/products/1313/131317-46-9.webp)
2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid
TL;DR: 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid (CAS 131317-46-9) is a chemical compound with molecular formula C11H11NO3S2 and molecular weight 269.01804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid
Also Known As: 1-benzyl-4,5-diamino pyrazole, 2-(6-ethoxybenzothiazol-2-ylthio)acetic acid, 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid, 2-((6-ethoxybenzo[d]thiazol-2-yl)thio)acetic acid, 2-(6-ethoxybenzo[d]thiazol-2-ylthio)acetic acid
Technical Specifications
| Molecular Formula | C11H11NO3S2 |
| Molecular Weight | 269.01804 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.01804 Da |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)O |
| InChIKey | XJYREGRATOEONE-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid
Property Insights of 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid
The XLogP value of 3.6 indicates that 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid has 1 hydrogen bond donor(s) and 6 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-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid?
The CAS number of 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid is 131317-46-9.
What is the molecular formula of 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid is C11H11NO3S2.
What is the molecular weight of 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid is 269.01804 g/mol.
Where can I buy 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.