Ethyl 1,3-benzothiazole-2-carboxylate
TL;DR: Ethyl 1,3-benzothiazole-2-carboxylate (CAS 1005054-67-0) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1,3-benzothiazole-2-carboxylate
Also Known As: ethyl 1,3-benzothiazole-2-carboxylate, Ethyl benzothiazole-2-carboxylate, ethyl benzo[d]thiazole-2-carboxylate, zlchem 880, N-Acetylpropargylglycine
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.0354 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.0354 Da |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
| SMILES | CCOC(=O)C1=NC2=CC=CC=C2S1 |
| InChIKey | VLQLCEXNNGQELL-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1,3-benzothiazole-2-carboxylate
Property Insights of Ethyl 1,3-benzothiazole-2-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,3-benzothiazole-2-carboxylate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,3-benzothiazole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,3-benzothiazole-2-carboxylate has 0 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 Ethyl 1,3-benzothiazole-2-carboxylate?
The CAS number of Ethyl 1,3-benzothiazole-2-carboxylate is 1005054-67-0.
What is the molecular formula of Ethyl 1,3-benzothiazole-2-carboxylate?
The molecular formula of Ethyl 1,3-benzothiazole-2-carboxylate is C10H9NO2S.
What is the molecular weight of Ethyl 1,3-benzothiazole-2-carboxylate?
The molecular weight of Ethyl 1,3-benzothiazole-2-carboxylate is 207.0354 g/mol.
Where can I buy Ethyl 1,3-benzothiazole-2-carboxylate?
You can request a quote for Ethyl 1,3-benzothiazole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1,3-benzothiazole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1,3-benzothiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.