S-(4-ethynylphenyl) ethanethioate
TL;DR: S-(4-ethynylphenyl) ethanethioate (CAS 170159-24-7) is a chemical compound with molecular formula C10H8OS and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-ethynylphenyl) ethanethioate
Also Known As: S-(4-ethynylphenyl) ethanethioate, s-4-ethynylphenyl ethanethioate, 1-(Acetylthio)-4-ethynylbenzene, 1-(4-ethynylphenyl)sulfanylethanone, 1-[(4-ethynylphenyl)sulfanyl]ethan-1-one
| Molecular Formula | C10H8OS |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | 2.3065 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.02959 |
| Heavy Atoms | 12 |
| Complexity | 318.68698 |
Chemical Identifiers
| CAS Number | 170159-24-7 |
|---|---|
| SMILES | CC(=O)SC1=CC=C(C=C1)C#C |
Product Overview
S-(4-ethynylphenyl) ethanethioate (CAS 170159-24-7), with molecular formula C10H8OS and molecular weight 176.03 g/mol. IUPAC: S-(4-ethynylphenyl) ethanethioate.
Chemical Property Profile of S-(4-ethynylphenyl) ethanethioate
Property Insights of S-(4-ethynylphenyl) ethanethioate
The XLogP value of 2.3065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(4-ethynylphenyl) ethanethioate. With a topological polar surface area (TPSA) of 17.07 Ų, S-(4-ethynylphenyl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-ethynylphenyl) ethanethioate has 0 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 S-(4-ethynylphenyl) ethanethioate?
The CAS number of S-(4-ethynylphenyl) ethanethioate is 170159-24-7.
What is the molecular formula of S-(4-ethynylphenyl) ethanethioate?
The molecular formula of S-(4-ethynylphenyl) ethanethioate is C10H8OS.
What is the molecular weight of S-(4-ethynylphenyl) ethanethioate?
The molecular weight of S-(4-ethynylphenyl) ethanethioate is 176.03 g/mol.
Where can I buy S-(4-ethynylphenyl) ethanethioate?
You can request a quote for S-(4-ethynylphenyl) ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-ethynylphenyl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-ethynylphenyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.