Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-
TL;DR: Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)- (CAS 71236-97-0) is a chemical compound with molecular formula C8H6F3NO3S and molecular weight 253.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfinyl-2-nitro-4-(trifluoromethyl)benzene
Also Known As: 1-methylsulfinyl-2-nitro-4-(trifluoromethyl)benzene, Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-, 1-(Methanesulfinyl)-2-nitro-4-(trifluoromethyl)benzene, RefChem:323629
| Molecular Formula | C8H6F3NO3S |
|---|---|
| Molecular Weight | 253.00 g/mol |
| LogP | 2.351 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.00204 |
| Heavy Atoms | 16 |
| Complexity | 458.33203 |
Chemical Identifiers
| CAS Number | 71236-97-0 |
|---|---|
| SMILES | CS(=O)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)- (CAS 71236-97-0), with molecular formula C8H6F3NO3S and molecular weight 253.00 g/mol. IUPAC: 1-methylsulfinyl-2-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-
Property Insights of Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-
The XLogP value of 2.351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)- 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 Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-?
The CAS number of Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)- is 71236-97-0.
What is the molecular formula of Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-?
The molecular formula of Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)- is C8H6F3NO3S.
What is the molecular weight of Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-?
The molecular weight of Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)- is 253.00 g/mol.
Where can I buy Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-?
You can request a quote for Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.