4,5-Bis(methylthio)-1,3-dithiol-2-one
TL;DR: 4,5-Bis(methylthio)-1,3-dithiol-2-one (CAS 61485-46-9) is a chemical compound with molecular formula C5H6OS4 and molecular weight 209.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(methylsulfanyl)-1,3-dithiol-2-one
Also Known As: 4,5-Bis(methylthio)-1,3-dithiol-2-one, 4,5-bis(methylsulfanyl)-1,3-dithiol-2-one, CYCLOHEXANAMINE,4-PENTYL-, bis(methylsulfanyl)-2H-1,3-dithiol-2-one, 4,5-BIS -1,3-DITHIOL-2-ONE
| Molecular Formula | C5H6OS4 |
|---|---|
| Molecular Weight | 209.93 g/mol |
| LogP | 2.6136 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.93015 |
| Heavy Atoms | 10 |
| Complexity | 236.35683 |
Chemical Identifiers
| CAS Number | 61485-46-9 |
|---|---|
| SMILES | CSC1=C(SC(=O)S1)SC |
Product Overview
4,5-Bis(methylthio)-1,3-dithiol-2-one (CAS 61485-46-9), with molecular formula C5H6OS4 and molecular weight 209.93 g/mol. IUPAC: 4,5-bis(methylsulfanyl)-1,3-dithiol-2-one.
Chemical Property Profile of 4,5-Bis(methylthio)-1,3-dithiol-2-one
Property Insights of 4,5-Bis(methylthio)-1,3-dithiol-2-one
The XLogP value of 2.6136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Bis(methylthio)-1,3-dithiol-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, 4,5-Bis(methylthio)-1,3-dithiol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Bis(methylthio)-1,3-dithiol-2-one 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-dithiol-2-one?
The CAS number of 4,5-Bis(methylthio)-1,3-dithiol-2-one is 61485-46-9.
What is the molecular formula of 4,5-Bis(methylthio)-1,3-dithiol-2-one?
The molecular formula of 4,5-Bis(methylthio)-1,3-dithiol-2-one is C5H6OS4.
What is the molecular weight of 4,5-Bis(methylthio)-1,3-dithiol-2-one?
The molecular weight of 4,5-Bis(methylthio)-1,3-dithiol-2-one is 209.93 g/mol.
Where can I buy 4,5-Bis(methylthio)-1,3-dithiol-2-one?
You can request a quote for 4,5-Bis(methylthio)-1,3-dithiol-2-one 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-dithiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(methylthio)-1,3-dithiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.