4-(4-Butylphenyl)benzenethiol
TL;DR: 4-(4-Butylphenyl)benzenethiol (CAS 107336-77-6) is a chemical compound with molecular formula C16H18S and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-butylphenyl)benzenethiol
Also Known As: 4-(4-butylphenyl)benzenethiol, 4-(4-n-Butylphenyl)thiophenol, 4'-Butyl-[1,1'-biphenyl]-4-thiol, [1,1'-Biphenyl]-4-thiol, 4'-butyl-, 2-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLMETHYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
| Molecular Formula | C16H18S |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 4.9849 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.11292 |
| Heavy Atoms | 17 |
| Complexity | 453.8888 |
Chemical Identifiers
| CAS Number | 107336-77-6 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)S |
Product Overview
4-(4-Butylphenyl)benzenethiol (CAS 107336-77-6), with molecular formula C16H18S and molecular weight 242.11 g/mol. IUPAC: 4-(4-butylphenyl)benzenethiol.
Chemical Property Profile of 4-(4-Butylphenyl)benzenethiol
Property Insights of 4-(4-Butylphenyl)benzenethiol
The XLogP value of 4.9849 indicates that 4-(4-Butylphenyl)benzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-(4-Butylphenyl)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Butylphenyl)benzenethiol has 1 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 4-(4-Butylphenyl)benzenethiol?
The CAS number of 4-(4-Butylphenyl)benzenethiol is 107336-77-6.
What is the molecular formula of 4-(4-Butylphenyl)benzenethiol?
The molecular formula of 4-(4-Butylphenyl)benzenethiol is C16H18S.
What is the molecular weight of 4-(4-Butylphenyl)benzenethiol?
The molecular weight of 4-(4-Butylphenyl)benzenethiol is 242.11 g/mol.
Where can I buy 4-(4-Butylphenyl)benzenethiol?
You can request a quote for 4-(4-Butylphenyl)benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Butylphenyl)benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Butylphenyl)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.