![5-Nitrobenzo[D]Oxazole-2-Thiol structure](/static/products/2287/22876-21-7.webp)
5-Nitrobenzo[D]Oxazole-2-Thiol
TL;DR: 5-Nitrobenzo[D]Oxazole-2-Thiol (CAS 22876-21-7) is a chemical compound with molecular formula C7H4N2O3S and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-3H-1,3-benzoxazole-2-thione
Also Known As: 5-Nitrobenzo[d]oxazole-2(3H)-thione, 5-nitro-1,3-benzoxazole-2-thiol, 5-Nitro benzoxazolo-2-thione, 5-nitro-3H-1,3-benzoxazole-2-thione, 5-nitrobenzoxazolo-2-thione
| Molecular Formula | C7H4N2O3S |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.99426 |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 22876-21-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC(=S)O2 |
| InChIKey | FQOGSTGLRLMQOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitrobenzo[D]Oxazole-2-Thiol (CAS 22876-21-7), with molecular formula C7H4N2O3S and molecular weight 195.99 g/mol. IUPAC: 5-nitro-3H-1,3-benzoxazole-2-thione.
Chemical Property Profile of 5-Nitrobenzo[D]Oxazole-2-Thiol
Property Insights of 5-Nitrobenzo[D]Oxazole-2-Thiol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrobenzo[D]Oxazole-2-Thiol. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrobenzo[D]Oxazole-2-Thiol. Following Lipinski's Rule of Five, 5-Nitrobenzo[D]Oxazole-2-Thiol has 1 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 5-Nitrobenzo[D]Oxazole-2-Thiol?
The CAS number of 5-Nitrobenzo[D]Oxazole-2-Thiol is 22876-21-7.
What is the molecular formula of 5-Nitrobenzo[D]Oxazole-2-Thiol?
The molecular formula of 5-Nitrobenzo[D]Oxazole-2-Thiol is C7H4N2O3S.
What is the molecular weight of 5-Nitrobenzo[D]Oxazole-2-Thiol?
The molecular weight of 5-Nitrobenzo[D]Oxazole-2-Thiol is 195.99 g/mol.
Where can I buy 5-Nitrobenzo[D]Oxazole-2-Thiol?
You can request a quote for 5-Nitrobenzo[D]Oxazole-2-Thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrobenzo[D]Oxazole-2-Thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrobenzo[D]Oxazole-2-Thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.