![Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate structure](/static/products/749/74980-90-8.png)
Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate
TL;DR: Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate (CAS 74980-90-8) is a chemical compound with molecular formula C11H12N2O2S2 and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetate
Also Known As: ChemDiv1_004007, BIM-0041092.P001, 6-amino-2-(ethoxycarbonylmethylthio)benzothiazole, ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate, ethyl 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetate
| Molecular Formula | C11H12N2O2S2 |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.03403 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 74980-90-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)N |
| InChIKey | UTKWGIMCGGXPMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate (CAS 74980-90-8), with molecular formula C11H12N2O2S2 and molecular weight 268.03 g/mol. IUPAC: ethyl 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate
Property Insights of Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate. Following Lipinski's Rule of Five, Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate 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
Frequently Asked Questions
What is the CAS number of Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate?
The CAS number of Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate is 74980-90-8.
What is the molecular formula of Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate?
The molecular formula of Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate is C11H12N2O2S2.
What is the molecular weight of Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate?
The molecular weight of Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate is 268.03 g/mol.
Where can I buy Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate?
You can request a quote for Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(6-amino-1,3-benzothiazol-2-yl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.