![Benzene, 1-methyl-4-[(methylthio)ethynyl]- structure](/static/products/172/17293-64-0.png)
Benzene, 1-methyl-4-[(methylthio)ethynyl]-
TL;DR: Benzene, 1-methyl-4-[(methylthio)ethynyl]- (CAS 17293-64-0) is a chemical compound with molecular formula C10H10S and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(2-methylsulfanylethynyl)benzene
Also Known As: (4-methylphenyl)ethynyl methyl sulfide, Methyl[(4-methylphenyl)ethynyl] sulfide, Benzene, 1-methyl-4-[(methylthio)ethynyl]-, 1-methyl-4-(2-methylsulfanylethynyl)benzene, J3.168.400E
| Molecular Formula | C10H10S |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.05032 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 17293-64-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C#CSC |
| InChIKey | VHXQAANFZUQGJX-UHFFFAOYSA-N |
Product Overview
Benzene, 1-methyl-4-[(methylthio)ethynyl]- (CAS 17293-64-0), with molecular formula C10H10S and molecular weight 162.05 g/mol. IUPAC: 1-methyl-4-(2-methylsulfanylethynyl)benzene.
Chemical Property Profile of Benzene, 1-methyl-4-[(methylthio)ethynyl]-
Property Insights of Benzene, 1-methyl-4-[(methylthio)ethynyl]-
The XLogP value of 3.4 indicates that Benzene, 1-methyl-4-[(methylthio)ethynyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, 1-methyl-4-[(methylthio)ethynyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-4-[(methylthio)ethynyl]- 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 Benzene, 1-methyl-4-[(methylthio)ethynyl]-?
The CAS number of Benzene, 1-methyl-4-[(methylthio)ethynyl]- is 17293-64-0.
What is the molecular formula of Benzene, 1-methyl-4-[(methylthio)ethynyl]-?
The molecular formula of Benzene, 1-methyl-4-[(methylthio)ethynyl]- is C10H10S.
What is the molecular weight of Benzene, 1-methyl-4-[(methylthio)ethynyl]-?
The molecular weight of Benzene, 1-methyl-4-[(methylthio)ethynyl]- is 162.05 g/mol.
Where can I buy Benzene, 1-methyl-4-[(methylthio)ethynyl]-?
You can request a quote for Benzene, 1-methyl-4-[(methylthio)ethynyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-4-[(methylthio)ethynyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-4-[(methylthio)ethynyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.