4-(Difluoromethylthio)nitrobenzene
TL;DR: 4-(Difluoromethylthio)nitrobenzene (CAS 24933-57-1) is a chemical compound with molecular formula C7H5F2NO2S and molecular weight 205.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(difluoromethylsulfanyl)-4-nitrobenzene
Also Known As: 4-(Difluoromethylthio)nitrobenzene, (difluoromethyl)(4-nitrophenyl)sulfane, 4- NITROBENZENE, 2-Cyclohexyl-1-propanol, 1-[(difluoromethyl)thio]-4-nitrobenzene
| Molecular Formula | C7H5F2NO2S |
|---|---|
| Molecular Weight | 205.00 g/mol |
| LogP | 2.9095 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.0009 |
| Heavy Atoms | 13 |
| Complexity | 301.86578 |
Chemical Identifiers
| CAS Number | 24933-57-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SC(F)F |
Product Overview
4-(Difluoromethylthio)nitrobenzene (CAS 24933-57-1), with molecular formula C7H5F2NO2S and molecular weight 205.00 g/mol. IUPAC: 1-(difluoromethylsulfanyl)-4-nitrobenzene.
Chemical Property Profile of 4-(Difluoromethylthio)nitrobenzene
Property Insights of 4-(Difluoromethylthio)nitrobenzene
The XLogP value of 2.9095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Difluoromethylthio)nitrobenzene. With a topological polar surface area (TPSA) of 43.14 Ų, 4-(Difluoromethylthio)nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Difluoromethylthio)nitrobenzene has 0 hydrogen bond donor(s) and 3 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-(Difluoromethylthio)nitrobenzene?
The CAS number of 4-(Difluoromethylthio)nitrobenzene is 24933-57-1.
What is the molecular formula of 4-(Difluoromethylthio)nitrobenzene?
The molecular formula of 4-(Difluoromethylthio)nitrobenzene is C7H5F2NO2S.
What is the molecular weight of 4-(Difluoromethylthio)nitrobenzene?
The molecular weight of 4-(Difluoromethylthio)nitrobenzene is 205.00 g/mol.
Where can I buy 4-(Difluoromethylthio)nitrobenzene?
You can request a quote for 4-(Difluoromethylthio)nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Difluoromethylthio)nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Difluoromethylthio)nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.