2-Nitrophenyl trifluoromethyl sulfide
TL;DR: 2-Nitrophenyl trifluoromethyl sulfide (CAS 1644-87-7) 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-2-(trifluoromethylsulfanyl)benzene
Also Known As: 2-nitrophenyl trifluoromethyl sulfide, 1-nitro-2-(trifluoromethylsulfanyl)benzene, 2- (Trifluoromethylthio)nitrobenzene, (2-Nitrophenyl)(trifluoromethyl)sulfane, 1-nitro-2-[(trifluoromethyl)thio]Benzene
| Molecular Formula | C7H4F3NO2S |
|---|---|
| Molecular Weight | 222.99 g/mol |
| LogP | 3.2067 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.99149 |
| Heavy Atoms | 14 |
| Complexity | 353.0333 |
Chemical Identifiers
| CAS Number | 1644-87-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SC(F)(F)F |
Product Overview
2-Nitrophenyl trifluoromethyl sulfide (CAS 1644-87-7), with molecular formula C7H4F3NO2S and molecular weight 222.99 g/mol. IUPAC: 1-nitro-2-(trifluoromethylsulfanyl)benzene.
Chemical Property Profile of 2-Nitrophenyl trifluoromethyl sulfide
Property Insights of 2-Nitrophenyl trifluoromethyl sulfide
The XLogP value of 3.2067 indicates that 2-Nitrophenyl trifluoromethyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2-Nitrophenyl trifluoromethyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitrophenyl trifluoromethyl sulfide 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 2-Nitrophenyl trifluoromethyl sulfide?
The CAS number of 2-Nitrophenyl trifluoromethyl sulfide is 1644-87-7.
What is the molecular formula of 2-Nitrophenyl trifluoromethyl sulfide?
The molecular formula of 2-Nitrophenyl trifluoromethyl sulfide is C7H4F3NO2S.
What is the molecular weight of 2-Nitrophenyl trifluoromethyl sulfide?
The molecular weight of 2-Nitrophenyl trifluoromethyl sulfide is 222.99 g/mol.
Where can I buy 2-Nitrophenyl trifluoromethyl sulfide?
You can request a quote for 2-Nitrophenyl trifluoromethyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl trifluoromethyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl trifluoromethyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.