1,3-Dithietan-1-oxide
TL;DR: 1,3-Dithietan-1-oxide (CAS 58816-63-0) is a chemical compound with molecular formula C2H4OS2 and molecular weight 107.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dithietane 1-oxide
Also Known As: 1,3-Dithietan-1-oxide, 1,3-dithietane 1-oxide, 1,3-Dithietane-1-oxide, 1,3-Dithiacyclobutane 1-oxide, 1,3-dithietan-1-ium-1-olate
| Molecular Formula | C2H4OS2 |
|---|---|
| Molecular Weight | 107.97 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.97036 |
| Heavy Atoms | 5 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 58816-63-0 |
|---|---|
| SMILES | C1SCS1=O |
| InChIKey | IWEQNMOZZAVUCY-UHFFFAOYSA-N |
Product Overview
1,3-Dithietan-1-oxide (CAS 58816-63-0), with molecular formula C2H4OS2 and molecular weight 107.97 g/mol. IUPAC: 1,3-dithietane 1-oxide.
Chemical Property Profile of 1,3-Dithietan-1-oxide
Property Insights of 1,3-Dithietan-1-oxide
The XLogP value of -0.1 indicates that 1,3-Dithietan-1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithietan-1-oxide. Following Lipinski's Rule of Five, 1,3-Dithietan-1-oxide 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 1,3-Dithietan-1-oxide?
The CAS number of 1,3-Dithietan-1-oxide is 58816-63-0.
What is the molecular formula of 1,3-Dithietan-1-oxide?
The molecular formula of 1,3-Dithietan-1-oxide is C2H4OS2.
What is the molecular weight of 1,3-Dithietan-1-oxide?
The molecular weight of 1,3-Dithietan-1-oxide is 107.97 g/mol.
Where can I buy 1,3-Dithietan-1-oxide?
You can request a quote for 1,3-Dithietan-1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithietan-1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithietan-1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.