2-Methyl-3-oxothiophane-1-dioxide
TL;DR: 2-Methyl-3-oxothiophane-1-dioxide (CAS 63366-76-7) is a chemical compound with molecular formula C5H8O3S and molecular weight 148.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,1-dioxothiolan-3-one
Also Known As: 2-methyl-1,1-dioxothiolan-3-one, 2-Methyl-3-oxothiophane-1-dioxide, Dihydro-2-methyl-3(2H)-thiophenone, 1,1-dioxide, 2-methyldihydrothiophen-3(2H)-one 1,1-dioxide, 2-Methyl-1lambda~6~-thiolane-1,1,3-trione
| Molecular Formula | C5H8O3S |
|---|---|
| Molecular Weight | 148.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.01941 |
| Heavy Atoms | 9 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 63366-76-7 |
|---|---|
| SMILES | CC1C(=O)CCS1(=O)=O |
| InChIKey | ZWHBQWHDADBCLM-UHFFFAOYSA-N |
Product Overview
2-Methyl-3-oxothiophane-1-dioxide (CAS 63366-76-7), with molecular formula C5H8O3S and molecular weight 148.02 g/mol. IUPAC: 2-methyl-1,1-dioxothiolan-3-one.
Chemical Property Profile of 2-Methyl-3-oxothiophane-1-dioxide
Property Insights of 2-Methyl-3-oxothiophane-1-dioxide
The XLogP value of -0.4 indicates that 2-Methyl-3-oxothiophane-1-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.6 Ų, 2-Methyl-3-oxothiophane-1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-oxothiophane-1-dioxide has 0 hydrogen bond donor(s) and 3 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-Methyl-3-oxothiophane-1-dioxide?
The CAS number of 2-Methyl-3-oxothiophane-1-dioxide is 63366-76-7.
What is the molecular formula of 2-Methyl-3-oxothiophane-1-dioxide?
The molecular formula of 2-Methyl-3-oxothiophane-1-dioxide is C5H8O3S.
What is the molecular weight of 2-Methyl-3-oxothiophane-1-dioxide?
The molecular weight of 2-Methyl-3-oxothiophane-1-dioxide is 148.02 g/mol.
Where can I buy 2-Methyl-3-oxothiophane-1-dioxide?
You can request a quote for 2-Methyl-3-oxothiophane-1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-oxothiophane-1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-oxothiophane-1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.