![[(Methylthio)ethynyl]benzene structure](/static/products/7714/7714-33-2.webp)
[(Methylthio)ethynyl]benzene
TL;DR: [(Methylthio)ethynyl]benzene (CAS 7714-33-2) is a chemical compound with molecular formula C9H8S and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylethynylbenzene
Also Known As: benzene, [(methylthio)ethynyl]-, [(methylthio)ethynyl]benzene, methyl(phenylethynyl)sulfane, methyl phenylethynyl sulfide, ((methylthio)ethynyl)benzene
| Molecular Formula | C9H8S |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.03467 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 7714-33-2 |
|---|---|
| SMILES | CSC#CC1=CC=CC=C1 |
| InChIKey | UOANPCUVSWEPEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(Methylthio)ethynyl]benzene (CAS 7714-33-2), with molecular formula C9H8S and molecular weight 148.03 g/mol. IUPAC: 2-methylsulfanylethynylbenzene.
Chemical Property Profile of [(Methylthio)ethynyl]benzene
Property Insights of [(Methylthio)ethynyl]benzene
The XLogP value of 3.0 indicates that [(Methylthio)ethynyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, [(Methylthio)ethynyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Methylthio)ethynyl]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 [(Methylthio)ethynyl]benzene?
The CAS number of [(Methylthio)ethynyl]benzene is 7714-33-2.
What is the molecular formula of [(Methylthio)ethynyl]benzene?
The molecular formula of [(Methylthio)ethynyl]benzene is C9H8S.
What is the molecular weight of [(Methylthio)ethynyl]benzene?
The molecular weight of [(Methylthio)ethynyl]benzene is 148.03 g/mol.
Where can I buy [(Methylthio)ethynyl]benzene?
You can request a quote for [(Methylthio)ethynyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Methylthio)ethynyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(Methylthio)ethynyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.