Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester
TL;DR: Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester (CAS 26974-29-8) 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-methoxy-4-phenylsulfanylsulfinylbenzene
Also Known As: Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester, 1-methoxy-4-phenylsulfanylsulfinylbenzene, 4-MethoxybenzenesulfinothioicacidS-phenylester, S-Phenyl 4-methoxybenzenesulfinothioate #, S-Phenyl 4-methoxybenzene-1-sulfinothioate
| 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 | 26974-29-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)SC2=CC=CC=C2 |
| InChIKey | MTFRJVYXHAZFBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester (CAS 26974-29-8), with molecular formula C13H12O2S2 and molecular weight 264.03 g/mol. IUPAC: 1-methoxy-4-phenylsulfanylsulfinylbenzene.
Chemical Property Profile of Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester
Property Insights of Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester
The XLogP value of 3.1 indicates that Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester 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 Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester. Following Lipinski's Rule of Five, Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester 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 Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester?
The CAS number of Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester is 26974-29-8.
What is the molecular formula of Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester?
The molecular formula of Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester is C13H12O2S2.
What is the molecular weight of Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester?
The molecular weight of Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester is 264.03 g/mol.
Where can I buy Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester?
You can request a quote for Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfinothioic acid, 4-methoxy-, S-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.