![2-(Methylthio)-6-nitrobenzo[d]oxazole structure](/static/products/1010/101084-55-3.webp)
2-(Methylthio)-6-nitrobenzo[d]oxazole
TL;DR: 2-(Methylthio)-6-nitrobenzo[d]oxazole (CAS 101084-55-3) is a chemical compound with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-6-nitro-1,3-benzoxazole
Also Known As: 2-(Methylthio)-6-nitrobenzo[d]oxazole, 2-methylthio-6-nitrobenzoxazole, 2-Methylsulfanyl-6-nitro-benzooxazole, 2-(methylsulfanyl)-6-nitro-1,3-benzoxazole, Benzoxazole, 2-(methylthio)-6-nitro-
| Molecular Formula | C8H6N2O3S |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.00992 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 101084-55-3 |
|---|---|
| SMILES | CSC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | SMPNPJSWVLTCKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylthio)-6-nitrobenzo[d]oxazole (CAS 101084-55-3), with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol. IUPAC: 2-methylsulfanyl-6-nitro-1,3-benzoxazole.
Chemical Property Profile of 2-(Methylthio)-6-nitrobenzo[d]oxazole
Property Insights of 2-(Methylthio)-6-nitrobenzo[d]oxazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-6-nitrobenzo[d]oxazole. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)-6-nitrobenzo[d]oxazole. Following Lipinski's Rule of Five, 2-(Methylthio)-6-nitrobenzo[d]oxazole has 0 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 2-(Methylthio)-6-nitrobenzo[d]oxazole?
The CAS number of 2-(Methylthio)-6-nitrobenzo[d]oxazole is 101084-55-3.
What is the molecular formula of 2-(Methylthio)-6-nitrobenzo[d]oxazole?
The molecular formula of 2-(Methylthio)-6-nitrobenzo[d]oxazole is C8H6N2O3S.
What is the molecular weight of 2-(Methylthio)-6-nitrobenzo[d]oxazole?
The molecular weight of 2-(Methylthio)-6-nitrobenzo[d]oxazole is 210.01 g/mol.
Where can I buy 2-(Methylthio)-6-nitrobenzo[d]oxazole?
You can request a quote for 2-(Methylthio)-6-nitrobenzo[d]oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-6-nitrobenzo[d]oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-6-nitrobenzo[d]oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.