1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene
TL;DR: 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene (CAS 22057-35-8) is a chemical compound with molecular formula C9H8F3NO2S and molecular weight 251.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanyl-2-nitro-4-(trifluoromethyl)benzene
Also Known As: 1-(ethylthio)-2-nitro-4-(trifluoromethyl)benzene, 1-ethylsulfanyl-2-nitro-4-(trifluoromethyl)benzene, 1-(ethylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene, Ethyl(2-nitro-4-(trifluoromethyl)phenyl)sulfane, Benzene, 1-(ethylthio)-2-nitro-4-(trifluoromethyl)-
| Molecular Formula | C9H8F3NO2S |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | 3.7256 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.02278 |
| Heavy Atoms | 16 |
| Complexity | 406.23083 |
Chemical Identifiers
| CAS Number | 22057-35-8 |
|---|---|
| SMILES | CCSC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene (CAS 22057-35-8), with molecular formula C9H8F3NO2S and molecular weight 251.02 g/mol. IUPAC: 1-ethylsulfanyl-2-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene
Property Insights of 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene
The XLogP value of 3.7256 indicates that 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene 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 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene?
The CAS number of 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene is 22057-35-8.
What is the molecular formula of 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene?
The molecular formula of 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene is C9H8F3NO2S.
What is the molecular weight of 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene?
The molecular weight of 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene is 251.02 g/mol.
Where can I buy 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene?
You can request a quote for 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Ethylthio)-2-nitro-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.