4-Methoxybenzene-1,2-dithiol
TL;DR: 4-Methoxybenzene-1,2-dithiol (CAS 72546-17-9) is a chemical compound with molecular formula C7H8OS2 and molecular weight 172.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxybenzene-1,2-dithiol
Also Known As: 4-methoxy-1,2-benzenedithiol, 4-methoxybenzene-1,2-dithiol, J3.744.184H
| Molecular Formula | C7H8OS2 |
|---|---|
| Molecular Weight | 172.00 g/mol |
| LogP | 2.2726 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.00166 |
| Heavy Atoms | 10 |
| Complexity | 235.04776 |
Chemical Identifiers
| CAS Number | 72546-17-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)S)S |
Product Overview
4-Methoxybenzene-1,2-dithiol (CAS 72546-17-9), with molecular formula C7H8OS2 and molecular weight 172.00 g/mol. IUPAC: 4-methoxybenzene-1,2-dithiol.
Chemical Property Profile of 4-Methoxybenzene-1,2-dithiol
Property Insights of 4-Methoxybenzene-1,2-dithiol
The XLogP value of 2.2726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxybenzene-1,2-dithiol. With a topological polar surface area (TPSA) of 9.23 Ų, 4-Methoxybenzene-1,2-dithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxybenzene-1,2-dithiol has 2 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 4-Methoxybenzene-1,2-dithiol?
The CAS number of 4-Methoxybenzene-1,2-dithiol is 72546-17-9.
What is the molecular formula of 4-Methoxybenzene-1,2-dithiol?
The molecular formula of 4-Methoxybenzene-1,2-dithiol is C7H8OS2.
What is the molecular weight of 4-Methoxybenzene-1,2-dithiol?
The molecular weight of 4-Methoxybenzene-1,2-dithiol is 172.00 g/mol.
Where can I buy 4-Methoxybenzene-1,2-dithiol?
You can request a quote for 4-Methoxybenzene-1,2-dithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxybenzene-1,2-dithiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzene-1,2-dithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.