1,4-Dithiane, 1-oxide
TL;DR: 1,4-Dithiane, 1-oxide (CAS 19087-70-8) is a chemical compound with molecular formula C4H8OS2 and molecular weight 136.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dithiane 1-oxide
Also Known As: 1,4-dithiane 1-oxide, 1,4-Dithiane, 1-oxide, p-Dithiane, 1-oxide, [1,4]dithiane 1-oxide, 1,4-Dithiane-1-oxide
| Molecular Formula | C4H8OS2 |
|---|---|
| Molecular Weight | 136.00 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.00166 |
| Heavy Atoms | 7 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 19087-70-8 |
|---|---|
| SMILES | C1CS(=O)CCS1 |
| InChIKey | VBDLSQFQIUGPSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dithiane, 1-oxide (CAS 19087-70-8), with molecular formula C4H8OS2 and molecular weight 136.00 g/mol. IUPAC: 1,4-dithiane 1-oxide.
Chemical Property Profile of 1,4-Dithiane, 1-oxide
Property Insights of 1,4-Dithiane, 1-oxide
The XLogP value of -0.3 indicates that 1,4-Dithiane, 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 1,4-Dithiane, 1-oxide. Following Lipinski's Rule of Five, 1,4-Dithiane, 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 1,4-Dithiane, 1-oxide?
The CAS number of 1,4-Dithiane, 1-oxide is 19087-70-8.
What is the molecular formula of 1,4-Dithiane, 1-oxide?
The molecular formula of 1,4-Dithiane, 1-oxide is C4H8OS2.
What is the molecular weight of 1,4-Dithiane, 1-oxide?
The molecular weight of 1,4-Dithiane, 1-oxide is 136.00 g/mol.
Where can I buy 1,4-Dithiane, 1-oxide?
You can request a quote for 1,4-Dithiane, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithiane, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiane, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.