3-(3-Methylphenyl)thiophenol
TL;DR: 3-(3-Methylphenyl)thiophenol (CAS 845822-87-9) is a chemical compound with molecular formula C13H12S and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)benzenethiol
Also Known As: 3-(3-Methylphenyl)thiophenol, 3-(m-tolyl)benzenethiol, 3-(3-methylphenyl)benzenethiol, 3'-Methyl-[1,1'-biphenyl]-3-thiol
| Molecular Formula | C13H12S |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 3.95072 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.06598 |
| Heavy Atoms | 14 |
| Complexity | 402.99347 |
Chemical Identifiers
| CAS Number | 845822-87-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=CC(=CC=C2)S |
Product Overview
3-(3-Methylphenyl)thiophenol (CAS 845822-87-9), with molecular formula C13H12S and molecular weight 200.07 g/mol. IUPAC: 3-(3-methylphenyl)benzenethiol.
Chemical Property Profile of 3-(3-Methylphenyl)thiophenol
Property Insights of 3-(3-Methylphenyl)thiophenol
The XLogP value of 3.95072 indicates that 3-(3-Methylphenyl)thiophenol 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-(3-Methylphenyl)thiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Methylphenyl)thiophenol 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-(3-Methylphenyl)thiophenol?
The CAS number of 3-(3-Methylphenyl)thiophenol is 845822-87-9.
What is the molecular formula of 3-(3-Methylphenyl)thiophenol?
The molecular formula of 3-(3-Methylphenyl)thiophenol is C13H12S.
What is the molecular weight of 3-(3-Methylphenyl)thiophenol?
The molecular weight of 3-(3-Methylphenyl)thiophenol is 200.07 g/mol.
Where can I buy 3-(3-Methylphenyl)thiophenol?
You can request a quote for 3-(3-Methylphenyl)thiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methylphenyl)thiophenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methylphenyl)thiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.