Ethynethiol, phenyl-
TL;DR: Ethynethiol, phenyl- (CAS 62472-99-5) is a chemical compound with molecular formula C8H6S and molecular weight 134.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethynethiol
Also Known As: 2-phenylethynethiol, Ethynethiol, phenyl-, Ethynethiol,phenyl, Mercaptoethynylbenzene, Phenylethyne-1-thiol
| Molecular Formula | C8H6S |
|---|---|
| Molecular Weight | 134.02 g/mol |
| LogP | 1.9254 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.01903 |
| Heavy Atoms | 9 |
| Complexity | 227.7397 |
Chemical Identifiers
| CAS Number | 62472-99-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CS |
Product Overview
Ethynethiol, phenyl- (CAS 62472-99-5), with molecular formula C8H6S and molecular weight 134.02 g/mol. IUPAC: 2-phenylethynethiol.
Chemical Property Profile of Ethynethiol, phenyl-
Property Insights of Ethynethiol, phenyl-
The XLogP value of 1.9254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethynethiol, phenyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Ethynethiol, phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethynethiol, phenyl- 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 Ethynethiol, phenyl-?
The CAS number of Ethynethiol, phenyl- is 62472-99-5.
What is the molecular formula of Ethynethiol, phenyl-?
The molecular formula of Ethynethiol, phenyl- is C8H6S.
What is the molecular weight of Ethynethiol, phenyl-?
The molecular weight of Ethynethiol, phenyl- is 134.02 g/mol.
Where can I buy Ethynethiol, phenyl-?
You can request a quote for Ethynethiol, phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethynethiol, phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethynethiol, phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.