5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione
TL;DR: 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione (CAS 65490-84-8) is a chemical compound with molecular formula C11H10OS3 and molecular weight 253.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-4-methyldithiole-3-thione
Also Known As: 5-(4-methoxyphenyl)-4-methyl-dithiole-3-thione, 5-(p-Methoxyphenyl)-4-methyl-1,2-dithiole-3-thione, 4-Methyl-5-(4-methoxyphenyl)-1,2-dithiole-3-thio, 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione, 4-Methyl-5-(4-methoxyphenyl)-3H-1,2-dithiol-3-thione
| Molecular Formula | C11H10OS3 |
|---|---|
| Molecular Weight | 253.99 g/mol |
| LogP | 4.52311 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.98938 |
| Heavy Atoms | 15 |
| Complexity | 507.37445 |
Chemical Identifiers
| CAS Number | 65490-84-8 |
|---|---|
| SMILES | CC1=C(SSC1=S)C2=CC=C(C=C2)OC |
Product Overview
5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione (CAS 65490-84-8), with molecular formula C11H10OS3 and molecular weight 253.99 g/mol. IUPAC: 5-(4-methoxyphenyl)-4-methyldithiole-3-thione.
Chemical Property Profile of 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione
Property Insights of 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione
The XLogP value of 4.52311 indicates that 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione 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 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione?
The CAS number of 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione is 65490-84-8.
What is the molecular formula of 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione?
The molecular formula of 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione is C11H10OS3.
What is the molecular weight of 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione?
The molecular weight of 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione is 253.99 g/mol.
Where can I buy 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione?
You can request a quote for 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methoxyphenyl)-4-methyl-3H-1,2-dithiole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.