3-(4-Propylphenyl)benzenethiol
TL;DR: 3-(4-Propylphenyl)benzenethiol (CAS 845823-01-0) is a chemical compound with molecular formula C15H16S and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-propylphenyl)benzenethiol
Also Known As: 3-(4-n-Propylphenyl)thiophenol, 3-(4-propylphenyl)benzenethiol, 4'-Propyl-[1,1'-biphenyl]-3-thiol
| Molecular Formula | C15H16S |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 4.5948 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.09727 |
| Heavy Atoms | 16 |
| Complexity | 457.1161 |
Chemical Identifiers
| CAS Number | 845823-01-0 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)C2=CC(=CC=C2)S |
Product Overview
3-(4-Propylphenyl)benzenethiol (CAS 845823-01-0), with molecular formula C15H16S and molecular weight 228.10 g/mol. IUPAC: 3-(4-propylphenyl)benzenethiol.
Chemical Property Profile of 3-(4-Propylphenyl)benzenethiol
Property Insights of 3-(4-Propylphenyl)benzenethiol
The XLogP value of 4.5948 indicates that 3-(4-Propylphenyl)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, 3-(4-Propylphenyl)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Propylphenyl)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 3-(4-Propylphenyl)benzenethiol?
The CAS number of 3-(4-Propylphenyl)benzenethiol is 845823-01-0.
What is the molecular formula of 3-(4-Propylphenyl)benzenethiol?
The molecular formula of 3-(4-Propylphenyl)benzenethiol is C15H16S.
What is the molecular weight of 3-(4-Propylphenyl)benzenethiol?
The molecular weight of 3-(4-Propylphenyl)benzenethiol is 228.10 g/mol.
Where can I buy 3-(4-Propylphenyl)benzenethiol?
You can request a quote for 3-(4-Propylphenyl)benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Propylphenyl)benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Propylphenyl)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.