![1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene structure](/static/products/129/129846-91-9.png)
1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene
TL;DR: 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene (CAS 129846-91-9) is a chemical compound with molecular formula C13H10FNO4S2 and molecular weight 327.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorophenyl)sulfanyl-4-methylsulfonyl-2-nitrobenzene
Also Known As: 1-(2-fluorophenyl)sulfanyl-4-methylsulfonyl-2-nitrobenzene, 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene, 1-[(2-Fluorophenyl)sulfanyl]-4-(methanesulfonyl)-2-nitrobenzene
| Molecular Formula | C13H10FNO4S2 |
|---|---|
| Molecular Weight | 327.00 g/mol |
| LogP | 3.2886 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.00354 |
| Heavy Atoms | 21 |
| Complexity | 805.5686 |
Chemical Identifiers
| CAS Number | 129846-91-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2F)[N+](=O)[O-] |
Product Overview
1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene (CAS 129846-91-9), with molecular formula C13H10FNO4S2 and molecular weight 327.00 g/mol. IUPAC: 1-(2-fluorophenyl)sulfanyl-4-methylsulfonyl-2-nitrobenzene.
Chemical Property Profile of 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene
Property Insights of 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene
The XLogP value of 3.2886 indicates that 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene. Following Lipinski's Rule of Five, 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene 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 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene?
The CAS number of 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene is 129846-91-9.
What is the molecular formula of 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene?
The molecular formula of 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene is C13H10FNO4S2.
What is the molecular weight of 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene?
The molecular weight of 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene is 327.00 g/mol.
Where can I buy 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene?
You can request a quote for 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Fluorophenyl)thio]-4-(methylsulfonyl)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.