3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)-
TL;DR: 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)- (CAS 54131-97-4) is a chemical compound with molecular formula C6H6O2S2 and molecular weight 173.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(methylsulfanyl)cyclobut-3-ene-1,2-dione
Also Known As: 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)-, 2,3-bis(methylsulfanyl)cyclobut-2-ene-1,4-dione, 3,4-bis(methylsulfanyl)cyclobut-3-ene-1,2-dione, 3,4-Bis(methylthio)cyclobuten-1,2-dion, 3,4-Di(methylthio)-3-cyclobutene-1,2-dione
| Molecular Formula | C6H6O2S2 |
|---|---|
| Molecular Weight | 173.98 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.98093 |
| Heavy Atoms | 10 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 54131-97-4 |
|---|---|
| SMILES | CSC1=C(C(=O)C1=O)SC |
| InChIKey | VUQDDHLQBBTHIC-UHFFFAOYSA-N |
Product Overview
3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)- (CAS 54131-97-4), with molecular formula C6H6O2S2 and molecular weight 173.98 g/mol. IUPAC: 3,4-bis(methylsulfanyl)cyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)-
Property Insights of 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)-. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)-. Following Lipinski's Rule of Five, 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)- 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 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)-?
The CAS number of 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)- is 54131-97-4.
What is the molecular formula of 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)-?
The molecular formula of 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)- is C6H6O2S2.
What is the molecular weight of 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)-?
The molecular weight of 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)- is 173.98 g/mol.
Where can I buy 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)-?
You can request a quote for 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclobutene-1,2-dione, 3,4-bis(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.