S-(3-Methoxyphenyl) ethanethioate
TL;DR: S-(3-Methoxyphenyl) ethanethioate (CAS 69746-44-7) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3-methoxyphenyl) ethanethioate
Also Known As: S-3-Methoxyphenylthioacetate, S-(3-Methoxyphenyl) ethanethioate, S-3-methoxyphenyl ethanethioate, 3-Methoxythiophenol, S-acetyl-, S-(3-methoxyphenyl) thioacetate
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 69746-44-7 |
|---|---|
| SMILES | CC(=O)SC1=CC=CC(=C1)OC |
| InChIKey | BSUMOLODBDMGEB-UHFFFAOYSA-N |
Product Overview
S-(3-Methoxyphenyl) ethanethioate (CAS 69746-44-7), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: S-(3-methoxyphenyl) ethanethioate.
Chemical Property Profile of S-(3-Methoxyphenyl) ethanethioate
Property Insights of S-(3-Methoxyphenyl) ethanethioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(3-Methoxyphenyl) ethanethioate. With a topological polar surface area (TPSA) of 51.6 Ų, S-(3-Methoxyphenyl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(3-Methoxyphenyl) ethanethioate has 0 hydrogen bond donor(s) and 3 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-(3-Methoxyphenyl) ethanethioate?
The CAS number of S-(3-Methoxyphenyl) ethanethioate is 69746-44-7.
What is the molecular formula of S-(3-Methoxyphenyl) ethanethioate?
The molecular formula of S-(3-Methoxyphenyl) ethanethioate is C9H10O2S.
What is the molecular weight of S-(3-Methoxyphenyl) ethanethioate?
The molecular weight of S-(3-Methoxyphenyl) ethanethioate is 182.04 g/mol.
Where can I buy S-(3-Methoxyphenyl) ethanethioate?
You can request a quote for S-(3-Methoxyphenyl) ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3-Methoxyphenyl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(3-Methoxyphenyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.