4,5-Bis(methylthio)-1,3-dithiole-2-thione
TL;DR: 4,5-Bis(methylthio)-1,3-dithiole-2-thione (CAS 5027-63-4) is a chemical compound with molecular formula C5H6S5 and molecular weight 225.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(methylsulfanyl)-1,3-dithiole-2-thione
Also Known As: 4,5-Bis(methylthio)-1,3-dithiole-2-thione, 4,5-Bis(methylthio)-1,3-dithiol-2-thione, Maybridge4_003412, 4,5-Bis(methylsulfanyl)-1,3-dithiole-2-thione, bis(methylsulfanyl)-2H-1,3-dithiole-2-thione
| Molecular Formula | C5H6S5 |
|---|---|
| Molecular Weight | 225.91 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.9073 |
| Heavy Atoms | 10 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 5027-63-4 |
|---|---|
| SMILES | CSC1=C(SC(=S)S1)SC |
| InChIKey | HOFVXSUZSDYZSA-UHFFFAOYSA-N |
Product Overview
4,5-Bis(methylthio)-1,3-dithiole-2-thione (CAS 5027-63-4), with molecular formula C5H6S5 and molecular weight 225.91 g/mol. IUPAC: 4,5-bis(methylsulfanyl)-1,3-dithiole-2-thione.
Chemical Property Profile of 4,5-Bis(methylthio)-1,3-dithiole-2-thione
Property Insights of 4,5-Bis(methylthio)-1,3-dithiole-2-thione
The XLogP value of 3.4 indicates that 4,5-Bis(methylthio)-1,3-dithiole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Bis(methylthio)-1,3-dithiole-2-thione. Following Lipinski's Rule of Five, 4,5-Bis(methylthio)-1,3-dithiole-2-thione has 0 hydrogen bond donor(s) and 5 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 4,5-Bis(methylthio)-1,3-dithiole-2-thione?
The CAS number of 4,5-Bis(methylthio)-1,3-dithiole-2-thione is 5027-63-4.
What is the molecular formula of 4,5-Bis(methylthio)-1,3-dithiole-2-thione?
The molecular formula of 4,5-Bis(methylthio)-1,3-dithiole-2-thione is C5H6S5.
What is the molecular weight of 4,5-Bis(methylthio)-1,3-dithiole-2-thione?
The molecular weight of 4,5-Bis(methylthio)-1,3-dithiole-2-thione is 225.91 g/mol.
Where can I buy 4,5-Bis(methylthio)-1,3-dithiole-2-thione?
You can request a quote for 4,5-Bis(methylthio)-1,3-dithiole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Bis(methylthio)-1,3-dithiole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(methylthio)-1,3-dithiole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.