N-(6-Nitro-2-benzothiazolyl)acetamide
TL;DR: N-(6-Nitro-2-benzothiazolyl)acetamide (CAS 80395-50-2) is a chemical compound with molecular formula C9H7N3O3S and molecular weight 237.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Also Known As: N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, n-(6-nitro-2-benzothiazolyl)acetamide, N-(6-Nitrobenzo[d]thiazol-2-yl)acetamide, 2-acetylamino-6-nitrobenzothiazole, N-(6-Nitro-benzothiazol-2-yl)-acetamide
| Molecular Formula | C9H7N3O3S |
|---|---|
| Molecular Weight | 237.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.02081 |
| Heavy Atoms | 16 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 80395-50-2 |
|---|---|
| SMILES | CC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | XARDSBCDZPSYTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(6-Nitro-2-benzothiazolyl)acetamide (CAS 80395-50-2), with molecular formula C9H7N3O3S and molecular weight 237.02 g/mol. IUPAC: N-(6-nitro-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-(6-Nitro-2-benzothiazolyl)acetamide
Property Insights of N-(6-Nitro-2-benzothiazolyl)acetamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-Nitro-2-benzothiazolyl)acetamide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-Nitro-2-benzothiazolyl)acetamide. Following Lipinski's Rule of Five, N-(6-Nitro-2-benzothiazolyl)acetamide has 1 hydrogen bond donor(s) and 5 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 N-(6-Nitro-2-benzothiazolyl)acetamide?
The CAS number of N-(6-Nitro-2-benzothiazolyl)acetamide is 80395-50-2.
What is the molecular formula of N-(6-Nitro-2-benzothiazolyl)acetamide?
The molecular formula of N-(6-Nitro-2-benzothiazolyl)acetamide is C9H7N3O3S.
What is the molecular weight of N-(6-Nitro-2-benzothiazolyl)acetamide?
The molecular weight of N-(6-Nitro-2-benzothiazolyl)acetamide is 237.02 g/mol.
Where can I buy N-(6-Nitro-2-benzothiazolyl)acetamide?
You can request a quote for N-(6-Nitro-2-benzothiazolyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-Nitro-2-benzothiazolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-Nitro-2-benzothiazolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.