4-Trifluoromethylthio-2-nitrochlorobenzene
TL;DR: 4-Trifluoromethylthio-2-nitrochlorobenzene (CAS 404-73-9) is a chemical compound with molecular formula C7H3ClF3NO2S and molecular weight 256.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-nitro-4-(trifluoromethylsulfanyl)benzene
Also Known As: 4-trifluoromethylthio-2-nitrochlorobenzene, (4-chloro-3-nitrophenyl)(trifluoromethyl)sulfane, 1-chloro-2-nitro-4-(trifluoromethylsulfanyl)benzene, 1-Chloro-2-nitro-4-[(trifluoromethyl)thio]benzene, 1-chloro-2-nitro-4-[(trifluoromethyl)sulfanyl]benzene
| Molecular Formula | C7H3ClF3NO2S |
|---|---|
| Molecular Weight | 256.95 g/mol |
| LogP | 3.8601 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.9525 |
| Heavy Atoms | 15 |
| Complexity | 396.31195 |
Chemical Identifiers
| CAS Number | 404-73-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1SC(F)(F)F)[N+](=O)[O-])Cl |
Product Overview
4-Trifluoromethylthio-2-nitrochlorobenzene (CAS 404-73-9), with molecular formula C7H3ClF3NO2S and molecular weight 256.95 g/mol. IUPAC: 1-chloro-2-nitro-4-(trifluoromethylsulfanyl)benzene.
Chemical Property Profile of 4-Trifluoromethylthio-2-nitrochlorobenzene
Property Insights of 4-Trifluoromethylthio-2-nitrochlorobenzene
The XLogP value of 3.8601 indicates that 4-Trifluoromethylthio-2-nitrochlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 4-Trifluoromethylthio-2-nitrochlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Trifluoromethylthio-2-nitrochlorobenzene 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-Trifluoromethylthio-2-nitrochlorobenzene?
The CAS number of 4-Trifluoromethylthio-2-nitrochlorobenzene is 404-73-9.
What is the molecular formula of 4-Trifluoromethylthio-2-nitrochlorobenzene?
The molecular formula of 4-Trifluoromethylthio-2-nitrochlorobenzene is C7H3ClF3NO2S.
What is the molecular weight of 4-Trifluoromethylthio-2-nitrochlorobenzene?
The molecular weight of 4-Trifluoromethylthio-2-nitrochlorobenzene is 256.95 g/mol.
Where can I buy 4-Trifluoromethylthio-2-nitrochlorobenzene?
You can request a quote for 4-Trifluoromethylthio-2-nitrochlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Trifluoromethylthio-2-nitrochlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Trifluoromethylthio-2-nitrochlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.