S-2-Methoxyphenylthioacetate
TL;DR: S-2-Methoxyphenylthioacetate (CAS 109963-06-6) 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-(2-methoxyphenyl) ethanethioate
Also Known As: S-2-Methoxyphenylthioacetate, S-(2-Methoxyphenyl) ethanethioate, 2-Methoxythiophenol, S-acetyl-, S-(2-methoxy)phenyl thioacetate, S-(2-Methoxyphenyl) ethanethioate #
| 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 | 109963-06-6 |
|---|---|
| SMILES | CC(=O)SC1=CC=CC=C1OC |
| InChIKey | UGYOFXSIYVNMOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-2-Methoxyphenylthioacetate (CAS 109963-06-6), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: S-(2-methoxyphenyl) ethanethioate.
Chemical Property Profile of S-2-Methoxyphenylthioacetate
Property Insights of S-2-Methoxyphenylthioacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-2-Methoxyphenylthioacetate. With a topological polar surface area (TPSA) of 51.6 Ų, S-2-Methoxyphenylthioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-2-Methoxyphenylthioacetate 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-2-Methoxyphenylthioacetate?
The CAS number of S-2-Methoxyphenylthioacetate is 109963-06-6.
What is the molecular formula of S-2-Methoxyphenylthioacetate?
The molecular formula of S-2-Methoxyphenylthioacetate is C9H10O2S.
What is the molecular weight of S-2-Methoxyphenylthioacetate?
The molecular weight of S-2-Methoxyphenylthioacetate is 182.04 g/mol.
Where can I buy S-2-Methoxyphenylthioacetate?
You can request a quote for S-2-Methoxyphenylthioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-2-Methoxyphenylthioacetate?
Yes, KEHONG BIO provides custom synthesis services for S-2-Methoxyphenylthioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.