S-(4-Methoxyphenyl) benzenesulfinothioate
TL;DR: S-(4-Methoxyphenyl) benzenesulfinothioate (CAS 26974-26-5) is a chemical compound with molecular formula C13H12O2S2 and molecular weight 264.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfinylsulfanyl)-4-methoxybenzene
Also Known As: S-(4-Methoxyphenyl) benzenesulfinothioate, 1-(benzenesulfinylsulfanyl)-4-methoxybenzene, Benzenethiosulfinic acid S-(4-methoxyphenyl) ester, Benzenesulfinothioic acid S-(4-methoxyphenyl) ester, 1-[(BENZENESULFINYL)SULFANYL]-4-METHOXYBENZENE
| Molecular Formula | C13H12O2S2 |
|---|---|
| Molecular Weight | 264.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.02786 |
| Heavy Atoms | 17 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 26974-26-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SS(=O)C2=CC=CC=C2 |
| InChIKey | AUBYFXQFOLVHFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(4-Methoxyphenyl) benzenesulfinothioate (CAS 26974-26-5), with molecular formula C13H12O2S2 and molecular weight 264.03 g/mol. IUPAC: 1-(benzenesulfinylsulfanyl)-4-methoxybenzene.
Chemical Property Profile of S-(4-Methoxyphenyl) benzenesulfinothioate
Property Insights of S-(4-Methoxyphenyl) benzenesulfinothioate
The XLogP value of 3.1 indicates that S-(4-Methoxyphenyl) benzenesulfinothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-Methoxyphenyl) benzenesulfinothioate. Following Lipinski's Rule of Five, S-(4-Methoxyphenyl) benzenesulfinothioate has 0 hydrogen bond donor(s) and 4 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-Methoxyphenyl) benzenesulfinothioate?
The CAS number of S-(4-Methoxyphenyl) benzenesulfinothioate is 26974-26-5.
What is the molecular formula of S-(4-Methoxyphenyl) benzenesulfinothioate?
The molecular formula of S-(4-Methoxyphenyl) benzenesulfinothioate is C13H12O2S2.
What is the molecular weight of S-(4-Methoxyphenyl) benzenesulfinothioate?
The molecular weight of S-(4-Methoxyphenyl) benzenesulfinothioate is 264.03 g/mol.
Where can I buy S-(4-Methoxyphenyl) benzenesulfinothioate?
You can request a quote for S-(4-Methoxyphenyl) benzenesulfinothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Methoxyphenyl) benzenesulfinothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Methoxyphenyl) benzenesulfinothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.