1-Bromo-2-((trifluoromethyl)thio)benzene
TL;DR: 1-Bromo-2-((trifluoromethyl)thio)benzene (CAS 1644-72-0) is a chemical compound with molecular formula C7H4BrF3S and molecular weight 255.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-(trifluoromethylsulfanyl)benzene
Also Known As: 2-(Trifluoromethylthio)bromobenzene, 1-Bromo-2-(Trifluoromethylthio)Benzene, 1-bromo-2-(trifluoromethylsulfanyl)benzene, (2-bromophenyl)(trifluoromethyl)sulfane, 2-Bromophenyl trifluoromethyl sulphide
| Molecular Formula | C7H4BrF3S |
|---|---|
| Molecular Weight | 255.92 g/mol |
| LogP | 4.061 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.91692 |
| Heavy Atoms | 12 |
| Complexity | 271.59915 |
Chemical Identifiers
| CAS Number | 1644-72-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)SC(F)(F)F)Br |
Product Overview
1-Bromo-2-((trifluoromethyl)thio)benzene (CAS 1644-72-0), with molecular formula C7H4BrF3S and molecular weight 255.92 g/mol. IUPAC: 1-bromo-2-(trifluoromethylsulfanyl)benzene.
Chemical Property Profile of 1-Bromo-2-((trifluoromethyl)thio)benzene
Property Insights of 1-Bromo-2-((trifluoromethyl)thio)benzene
The XLogP value of 4.061 indicates that 1-Bromo-2-((trifluoromethyl)thio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-2-((trifluoromethyl)thio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-((trifluoromethyl)thio)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-Bromo-2-((trifluoromethyl)thio)benzene?
The CAS number of 1-Bromo-2-((trifluoromethyl)thio)benzene is 1644-72-0.
What is the molecular formula of 1-Bromo-2-((trifluoromethyl)thio)benzene?
The molecular formula of 1-Bromo-2-((trifluoromethyl)thio)benzene is C7H4BrF3S.
What is the molecular weight of 1-Bromo-2-((trifluoromethyl)thio)benzene?
The molecular weight of 1-Bromo-2-((trifluoromethyl)thio)benzene is 255.92 g/mol.
Where can I buy 1-Bromo-2-((trifluoromethyl)thio)benzene?
You can request a quote for 1-Bromo-2-((trifluoromethyl)thio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-((trifluoromethyl)thio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-((trifluoromethyl)thio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.