2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
TL;DR: 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide (CAS 881-11-8) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
Also Known As: ChemDiv2_004426, 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide, 3(2H)-Benzothiazoleacetamide, 2-oxo-, (2-benzothiazolinon-3-yl)acetamide, 2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 881-11-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)N |
| InChIKey | MRHAAMBNOQKMMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide (CAS 881-11-8), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
Chemical Property Profile of 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
Property Insights of 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide. Following Lipinski's Rule of Five, 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide has 1 hydrogen bond donor(s) and 3 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 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide?
The CAS number of 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide is 881-11-8.
What is the molecular formula of 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide?
The molecular formula of 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide is C9H8N2O2S.
What is the molecular weight of 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide?
The molecular weight of 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide is 208.03 g/mol.
Where can I buy 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide?
You can request a quote for 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.