1-Chloro-4-(trifluoromethanesulfinyl)benzene
TL;DR: 1-Chloro-4-(trifluoromethanesulfinyl)benzene (CAS 708-66-7) is a chemical compound with molecular formula C7H4ClF3OS and molecular weight 227.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(trifluoromethylsulfinyl)benzene
Also Known As: 4-(TRIFLUOROMETHYLSULFINYL)CHLOROBENZENE, 1-chloro-4-(trifluoromethylsulfinyl)benzene, 1-chloro-4-trifluoromethanesulfinylbenzene, (RS)-(tetrazol-5-yl)glycine, 4-(Trifluoromethylsulphinyl)chlorobenzene
| Molecular Formula | C7H4ClF3OS |
|---|---|
| Molecular Weight | 227.96 g/mol |
| LogP | 2.9674 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.96234 |
| Heavy Atoms | 13 |
| Complexity | 319.5047 |
Chemical Identifiers
| CAS Number | 708-66-7 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)C(F)(F)F)Cl |
Product Overview
1-Chloro-4-(trifluoromethanesulfinyl)benzene (CAS 708-66-7), with molecular formula C7H4ClF3OS and molecular weight 227.96 g/mol. IUPAC: 1-chloro-4-(trifluoromethylsulfinyl)benzene.
Chemical Property Profile of 1-Chloro-4-(trifluoromethanesulfinyl)benzene
Property Insights of 1-Chloro-4-(trifluoromethanesulfinyl)benzene
The XLogP value of 2.9674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(trifluoromethanesulfinyl)benzene. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Chloro-4-(trifluoromethanesulfinyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(trifluoromethanesulfinyl)benzene has 0 hydrogen bond donor(s) and 1 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-Chloro-4-(trifluoromethanesulfinyl)benzene?
The CAS number of 1-Chloro-4-(trifluoromethanesulfinyl)benzene is 708-66-7.
What is the molecular formula of 1-Chloro-4-(trifluoromethanesulfinyl)benzene?
The molecular formula of 1-Chloro-4-(trifluoromethanesulfinyl)benzene is C7H4ClF3OS.
What is the molecular weight of 1-Chloro-4-(trifluoromethanesulfinyl)benzene?
The molecular weight of 1-Chloro-4-(trifluoromethanesulfinyl)benzene is 227.96 g/mol.
Where can I buy 1-Chloro-4-(trifluoromethanesulfinyl)benzene?
You can request a quote for 1-Chloro-4-(trifluoromethanesulfinyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(trifluoromethanesulfinyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(trifluoromethanesulfinyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.