Benzene, 1-nitro-3-((trifluoromethyl)thio)-
TL;DR: Benzene, 1-nitro-3-((trifluoromethyl)thio)- (CAS 370-47-8) is a chemical compound with molecular formula C7H4F3NO2S and molecular weight 222.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-(trifluoromethylsulfanyl)benzene
Also Known As: 3-(Trifluoromethylthio)nitrobenzene, m-Nitrophenyl trifluoromethyl sulfide, Trifluoromethylthio-3-nitrobenzene, 1-nitro-3-(trifluoromethylsulfanyl)benzene, 1-nitro-3-[ thio]benzene
| Molecular Formula | C7H4F3NO2S |
|---|---|
| Molecular Weight | 222.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.99149 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 370-47-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC(F)(F)F)[N+](=O)[O-] |
| InChIKey | LCYLLPJRCOQTHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-nitro-3-((trifluoromethyl)thio)- (CAS 370-47-8), with molecular formula C7H4F3NO2S and molecular weight 222.99 g/mol. IUPAC: 1-nitro-3-(trifluoromethylsulfanyl)benzene.
Chemical Property Profile of Benzene, 1-nitro-3-((trifluoromethyl)thio)-
Property Insights of Benzene, 1-nitro-3-((trifluoromethyl)thio)-
The XLogP value of 3.5 indicates that Benzene, 1-nitro-3-((trifluoromethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-nitro-3-((trifluoromethyl)thio)-. Following Lipinski's Rule of Five, Benzene, 1-nitro-3-((trifluoromethyl)thio)- has 0 hydrogen bond donor(s) and 6 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 Benzene, 1-nitro-3-((trifluoromethyl)thio)-?
The CAS number of Benzene, 1-nitro-3-((trifluoromethyl)thio)- is 370-47-8.
What is the molecular formula of Benzene, 1-nitro-3-((trifluoromethyl)thio)-?
The molecular formula of Benzene, 1-nitro-3-((trifluoromethyl)thio)- is C7H4F3NO2S.
What is the molecular weight of Benzene, 1-nitro-3-((trifluoromethyl)thio)-?
The molecular weight of Benzene, 1-nitro-3-((trifluoromethyl)thio)- is 222.99 g/mol.
Where can I buy Benzene, 1-nitro-3-((trifluoromethyl)thio)-?
You can request a quote for Benzene, 1-nitro-3-((trifluoromethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-nitro-3-((trifluoromethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-nitro-3-((trifluoromethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.