2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide
TL;DR: 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide (CAS 42347-29-5) is a chemical compound with molecular formula C4H8O4S2 and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
Also Known As: 2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide, 2-Methyl-1lambda~6~,3lambda~6~-dithiolane-1,1,3,3-tetrone
| Molecular Formula | C4H8O4S2 |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.9864 |
| Heavy Atoms | 10 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 42347-29-5 |
|---|---|
| SMILES | CC1S(=O)(=O)CCS1(=O)=O |
| InChIKey | HJTNFKNPOMDJLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide (CAS 42347-29-5), with molecular formula C4H8O4S2 and molecular weight 183.99 g/mol. IUPAC: 2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide.
Chemical Property Profile of 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide
Property Insights of 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide
The XLogP value of -0.7 indicates that 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide. Following Lipinski's Rule of Five, 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide 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-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The CAS number of 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide is 42347-29-5.
What is the molecular formula of 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The molecular formula of 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide is C4H8O4S2.
What is the molecular weight of 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The molecular weight of 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide is 183.99 g/mol.
Where can I buy 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
You can request a quote for 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,3-dithiolane 1,1,3,3-tetraoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.