2-(4-Methylphenyl)ethynethiol
TL;DR: 2-(4-Methylphenyl)ethynethiol (CAS 69046-99-7) 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-(4-methylphenyl)ethynethiol
Also Known As: 2-(4-methylphenyl)ethynethiol, (4-METHYLPHENYL)ETHYNETHIOL, Ethynethiol, (4-methylphenyl)- (9CI), J1.041.314A
| Molecular Formula | C9H8S |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 2.23382 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.03467 |
| Heavy Atoms | 10 |
| Complexity | 261.02002 |
Chemical Identifiers
| CAS Number | 69046-99-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C#CS |
Product Overview
2-(4-Methylphenyl)ethynethiol (CAS 69046-99-7), with molecular formula C9H8S and molecular weight 148.03 g/mol. IUPAC: 2-(4-methylphenyl)ethynethiol.
Chemical Property Profile of 2-(4-Methylphenyl)ethynethiol
Property Insights of 2-(4-Methylphenyl)ethynethiol
The XLogP value of 2.23382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)ethynethiol. With a topological polar surface area (TPSA) of 0.0 Ų, 2-(4-Methylphenyl)ethynethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)ethynethiol 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 2-(4-Methylphenyl)ethynethiol?
The CAS number of 2-(4-Methylphenyl)ethynethiol is 69046-99-7.
What is the molecular formula of 2-(4-Methylphenyl)ethynethiol?
The molecular formula of 2-(4-Methylphenyl)ethynethiol is C9H8S.
What is the molecular weight of 2-(4-Methylphenyl)ethynethiol?
The molecular weight of 2-(4-Methylphenyl)ethynethiol is 148.03 g/mol.
Where can I buy 2-(4-Methylphenyl)ethynethiol?
You can request a quote for 2-(4-Methylphenyl)ethynethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)ethynethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)ethynethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.