4-(Trifluoromethylsulphinyl)nitrobenzene
TL;DR: 4-(Trifluoromethylsulphinyl)nitrobenzene (CAS 394-60-5) is a chemical compound with molecular formula C7H4F3NO3S and molecular weight 238.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-(trifluoromethylsulfinyl)benzene
Also Known As: 4-(TRIFLUOROMETHYLSULPHINYL)NITROBENZENE, 1-nitro-4-((trifluoromethyl)sulfinyl)benzene, 1-nitro-4-trifluoromethanesulfinylbenzene, 1-nitro-4-(trifluoromethylsulfinyl)benzene, 4-Nitrophenyl trifluoromethyl sulphoxide
| Molecular Formula | C7H4F3NO3S |
|---|---|
| Molecular Weight | 238.99 g/mol |
| LogP | 2.2222 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.9864 |
| Heavy Atoms | 15 |
| Complexity | 400.93658 |
Chemical Identifiers
| CAS Number | 394-60-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)C(F)(F)F |
Product Overview
4-(Trifluoromethylsulphinyl)nitrobenzene (CAS 394-60-5), with molecular formula C7H4F3NO3S and molecular weight 238.99 g/mol. IUPAC: 1-nitro-4-(trifluoromethylsulfinyl)benzene.
Chemical Property Profile of 4-(Trifluoromethylsulphinyl)nitrobenzene
Property Insights of 4-(Trifluoromethylsulphinyl)nitrobenzene
The XLogP value of 2.2222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethylsulphinyl)nitrobenzene. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Trifluoromethylsulphinyl)nitrobenzene. Following Lipinski's Rule of Five, 4-(Trifluoromethylsulphinyl)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-(Trifluoromethylsulphinyl)nitrobenzene?
The CAS number of 4-(Trifluoromethylsulphinyl)nitrobenzene is 394-60-5.
What is the molecular formula of 4-(Trifluoromethylsulphinyl)nitrobenzene?
The molecular formula of 4-(Trifluoromethylsulphinyl)nitrobenzene is C7H4F3NO3S.
What is the molecular weight of 4-(Trifluoromethylsulphinyl)nitrobenzene?
The molecular weight of 4-(Trifluoromethylsulphinyl)nitrobenzene is 238.99 g/mol.
Where can I buy 4-(Trifluoromethylsulphinyl)nitrobenzene?
You can request a quote for 4-(Trifluoromethylsulphinyl)nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethylsulphinyl)nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethylsulphinyl)nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.