4-(Methylsulfanyl)thiophenol
TL;DR: 4-(Methylsulfanyl)thiophenol (CAS 1122-97-0) is a chemical compound with molecular formula CSC1=CC=C(C=C1)S and molecular weight 156.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanylbenzenethiol
Also Known As: 4-(Methylthio)thiophenol, 4-methylsulfanylbenzenethiol, 4-(Methylthio)benzenethiol, 4-Methylthiothiophenol, 4-Methylthio thiophenol
| Molecular Formula | CSC1=CC=C(C=C1)S |
|---|---|
| Molecular Weight | 156.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.00674 |
| Heavy Atoms | 9 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 1122-97-0 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)S |
| InChIKey | KYMOWQQIZINTJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Methylsulfanyl)thiophenol (CAS 1122-97-0), with molecular formula CSC1=CC=C(C=C1)S and molecular weight 156.01 g/mol. IUPAC: 4-methylsulfanylbenzenethiol.
Chemical Property Profile of 4-(Methylsulfanyl)thiophenol
Property Insights of 4-(Methylsulfanyl)thiophenol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulfanyl)thiophenol. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(Methylsulfanyl)thiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylsulfanyl)thiophenol has 1 hydrogen bond donor(s) and 2 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-(Methylsulfanyl)thiophenol?
The CAS number of 4-(Methylsulfanyl)thiophenol is 1122-97-0.
What is the molecular formula of 4-(Methylsulfanyl)thiophenol?
The molecular formula of 4-(Methylsulfanyl)thiophenol is CSC1=CC=C(C=C1)S.
What is the molecular weight of 4-(Methylsulfanyl)thiophenol?
The molecular weight of 4-(Methylsulfanyl)thiophenol is 156.01 g/mol.
Where can I buy 4-(Methylsulfanyl)thiophenol?
You can request a quote for 4-(Methylsulfanyl)thiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylsulfanyl)thiophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulfanyl)thiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.