4,4'-Sulfonylbis(2-nitrobenzenethiol)
TL;DR: 4,4'-Sulfonylbis(2-nitrobenzenethiol) (CAS 71958-76-4) is a chemical compound with molecular formula C12H8N2O6S3 and molecular weight 371.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-(3-nitro-4-sulfanylphenyl)sulfonylbenzenethiol
Also Known As: 4,4'-sulfonylbis(2-nitrobenzenethiol), 2-[2-(2-aminoethoxy)ethoxy]ethanol, Benzenethiol,4,4'-sulfonylbis[2-nitro-, 4,4'-Sulfonylbis(2-nitrobenzene-1-thiol), 2-nitro-4-(3-nitro-4-sulfanyl-phenyl)sulfonyl-benzenethiol
| Molecular Formula | C12H8N2O6S3 |
|---|---|
| Molecular Weight | 371.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.95444 |
| Heavy Atoms | 23 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 71958-76-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)S)[N+](=O)[O-])[N+](=O)[O-])S |
| InChIKey | NFMMQGHPLZJWKW-UHFFFAOYSA-N |
Product Overview
4,4'-Sulfonylbis(2-nitrobenzenethiol) (CAS 71958-76-4), with molecular formula C12H8N2O6S3 and molecular weight 371.95 g/mol. IUPAC: 2-nitro-4-(3-nitro-4-sulfanylphenyl)sulfonylbenzenethiol.
Chemical Property Profile of 4,4'-Sulfonylbis(2-nitrobenzenethiol)
Property Insights of 4,4'-Sulfonylbis(2-nitrobenzenethiol)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Sulfonylbis(2-nitrobenzenethiol). The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Sulfonylbis(2-nitrobenzenethiol). Following Lipinski's Rule of Five, 4,4'-Sulfonylbis(2-nitrobenzenethiol) has 2 hydrogen bond donor(s) and 8 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 4,4'-Sulfonylbis(2-nitrobenzenethiol)?
The CAS number of 4,4'-Sulfonylbis(2-nitrobenzenethiol) is 71958-76-4.
What is the molecular formula of 4,4'-Sulfonylbis(2-nitrobenzenethiol)?
The molecular formula of 4,4'-Sulfonylbis(2-nitrobenzenethiol) is C12H8N2O6S3.
What is the molecular weight of 4,4'-Sulfonylbis(2-nitrobenzenethiol)?
The molecular weight of 4,4'-Sulfonylbis(2-nitrobenzenethiol) is 371.95 g/mol.
Where can I buy 4,4'-Sulfonylbis(2-nitrobenzenethiol)?
You can request a quote for 4,4'-Sulfonylbis(2-nitrobenzenethiol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Sulfonylbis(2-nitrobenzenethiol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Sulfonylbis(2-nitrobenzenethiol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.