![4-Nitrobenzo[d]thiazole structure](/static/products/2942/2942-08-7.webp)
4-Nitrobenzo[d]thiazole
TL;DR: 4-Nitrobenzo[d]thiazole (CAS 2942-08-7) is a chemical compound with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1,3-benzothiazole
Also Known As: 4-Nitrobenzo[d]thiazole, 4-Nitrobenzothiazole, benzothiazole, 4-nitro-, 4-Nitro-1,3-benzothiazole, 4-Nitro-benzothiazole
| Molecular Formula | C7H4N2O2S |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.99934 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 2942-08-7 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)SC=N2)[N+](=O)[O-] |
| InChIKey | HTEFJELLZLFAQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzo[d]thiazole (CAS 2942-08-7), with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol. IUPAC: 4-nitro-1,3-benzothiazole.
Chemical Property Profile of 4-Nitrobenzo[d]thiazole
Property Insights of 4-Nitrobenzo[d]thiazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzo[d]thiazole. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzo[d]thiazole. Following Lipinski's Rule of Five, 4-Nitrobenzo[d]thiazole 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
Frequently Asked Questions
What is the CAS number of 4-Nitrobenzo[d]thiazole?
The CAS number of 4-Nitrobenzo[d]thiazole is 2942-08-7.
What is the molecular formula of 4-Nitrobenzo[d]thiazole?
The molecular formula of 4-Nitrobenzo[d]thiazole is C7H4N2O2S.
What is the molecular weight of 4-Nitrobenzo[d]thiazole?
The molecular weight of 4-Nitrobenzo[d]thiazole is 180.00 g/mol.
Where can I buy 4-Nitrobenzo[d]thiazole?
You can request a quote for 4-Nitrobenzo[d]thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzo[d]thiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzo[d]thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.