2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione
TL;DR: 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione (CAS 443651-87-4) is a chemical compound with molecular formula C5H5BrO3S2 and molecular weight 255.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-methylsulfanyl-1,1-dioxothiophen-3-one
Also Known As: 2-bromo-4-methylsulfanyl-1,1-dioxothiophen-3-one, 2-bromo-4-methylthio-2-hydrothiophene-1,1,3-trione, 2-bromo-4-(methylthio)thiophen-3(2H)-one 1,1-dioxide
| Molecular Formula | C5H5BrO3S2 |
|---|---|
| Molecular Weight | 255.89 g/mol |
| LogP | 0.9093 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.88635 |
| Heavy Atoms | 11 |
| Complexity | 316.61923 |
Chemical Identifiers
| CAS Number | 443651-87-4 |
|---|---|
| SMILES | CSC1=CS(=O)(=O)C(C1=O)Br |
Product Overview
2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione (CAS 443651-87-4), with molecular formula C5H5BrO3S2 and molecular weight 255.89 g/mol. IUPAC: 2-bromo-4-methylsulfanyl-1,1-dioxothiophen-3-one.
Chemical Property Profile of 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione
Property Insights of 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione
The XLogP value of 0.9093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione. With a topological polar surface area (TPSA) of 51.21 Ų, 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione 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 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione?
The CAS number of 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione is 443651-87-4.
What is the molecular formula of 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione?
The molecular formula of 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione is C5H5BrO3S2.
What is the molecular weight of 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione?
The molecular weight of 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione is 255.89 g/mol.
Where can I buy 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione?
You can request a quote for 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-methylthio-2-hydrothiophene-1,1,3-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.