1,3-Benzothiazol-2-yl acetate
TL;DR: 1,3-Benzothiazol-2-yl acetate (CAS 15456-95-8) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.01974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzothiazol-2-yl acetate
Also Known As: 1,3-benzothiazol-2-yl acetate, Benzothiazol-2-yl Acetate, 2-Benzothiazolol,acetate(ester)(8CI), 2-Benzothiazolol, acetate (ester) (8CI)
Technical Specifications
| Molecular Formula | C9H7NO2S |
| Molecular Weight | 193.01974 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.01974 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | CC(=O)OC1=NC2=CC=CC=C2S1 |
| InChIKey | GLFGFXDDVYKLKP-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzothiazol-2-yl acetate
Property Insights of 1,3-Benzothiazol-2-yl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzothiazol-2-yl acetate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzothiazol-2-yl acetate. Following Lipinski's Rule of Five, 1,3-Benzothiazol-2-yl acetate 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 1,3-Benzothiazol-2-yl acetate?
The CAS number of 1,3-Benzothiazol-2-yl acetate is 15456-95-8.
What is the molecular formula of 1,3-Benzothiazol-2-yl acetate?
The molecular formula of 1,3-Benzothiazol-2-yl acetate is C9H7NO2S.
What is the molecular weight of 1,3-Benzothiazol-2-yl acetate?
The molecular weight of 1,3-Benzothiazol-2-yl acetate is 193.01974 g/mol.
Where can I buy 1,3-Benzothiazol-2-yl acetate?
You can request a quote for 1,3-Benzothiazol-2-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzothiazol-2-yl acetate?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzothiazol-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.