Benzene, 1-methoxy-4-(phenylthio)-
TL;DR: Benzene, 1-methoxy-4-(phenylthio)- (CAS 5633-57-8) is a chemical compound with molecular formula C13H12OS and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4-phenylsulfanylbenzene
Also Known As: 4-(Phenylthio)anisole, 1-methoxy-4-(phenylsulfanyl)benzene, Benzene, 1-methoxy-4-(phenylthio)-, (4-methoxyphenyl)(phenyl)sulfane, Benzene,1-methoxy-4- -
| Molecular Formula | C13H12OS |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.06088 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 5633-57-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=CC=CC=C2 |
| InChIKey | QLPJEUPWCYCFKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methoxy-4-(phenylthio)- (CAS 5633-57-8), with molecular formula C13H12OS and molecular weight 216.06 g/mol. IUPAC: 1-methoxy-4-phenylsulfanylbenzene.
Chemical Property Profile of Benzene, 1-methoxy-4-(phenylthio)-
Property Insights of Benzene, 1-methoxy-4-(phenylthio)-
The XLogP value of 4.2 indicates that Benzene, 1-methoxy-4-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, Benzene, 1-methoxy-4-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methoxy-4-(phenylthio)- 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 Benzene, 1-methoxy-4-(phenylthio)-?
The CAS number of Benzene, 1-methoxy-4-(phenylthio)- is 5633-57-8.
What is the molecular formula of Benzene, 1-methoxy-4-(phenylthio)-?
The molecular formula of Benzene, 1-methoxy-4-(phenylthio)- is C13H12OS.
What is the molecular weight of Benzene, 1-methoxy-4-(phenylthio)-?
The molecular weight of Benzene, 1-methoxy-4-(phenylthio)- is 216.06 g/mol.
Where can I buy Benzene, 1-methoxy-4-(phenylthio)-?
You can request a quote for Benzene, 1-methoxy-4-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methoxy-4-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methoxy-4-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.