1-氧杂-4-硫杂环己烷
TL;DR: 1-氧杂-4-硫杂环己烷 (CAS 15980-15-1) is a chemical compound with molecular formula C4H8OS and molecular weight 104.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氧杂-4-硫杂环己烷
1,4-oxathiane
Also Known As: 1,4-Oxathiane, 1,4-THIOXANE, p-Thioxane, Oxathiane, 1-Oxa-4-thiacyclohexane
| Molecular Formula | C4H8OS |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.02959 |
| Heavy Atoms | 6 |
| Complexity | 34.0 |
| Melting Point | -17 °C |
| Boiling Point | 148.7 °C @760 [mm Hg] |
| Density | 1.12 @ 20°C |
Chemical Identifiers
| CAS Number | 15980-15-1 |
|---|---|
| SMILES | C1CSCCO1 |
| InChIKey | JBYHSSAVUBIJMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氧杂-4-硫杂环己烷 (CAS 15980-15-1), with molecular formula C4H8OS and molecular weight 104.03 g/mol. IUPAC: 1,4-oxathiane.
Chemical Property Profile of 1-氧杂-4-硫杂环己烷
Property Insights of 1-氧杂-4-硫杂环己烷
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-氧杂-4-硫杂环己烷. With a topological polar surface area (TPSA) of 34.5 Ų, 1-氧杂-4-硫杂环己烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氧杂-4-硫杂环己烷 has 0 hydrogen bond donor(s) and 2 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-氧杂-4-硫杂环己烷?
The CAS number of 1-氧杂-4-硫杂环己烷 is 15980-15-1.
What is the molecular formula of 1-氧杂-4-硫杂环己烷?
The molecular formula of 1-氧杂-4-硫杂环己烷 is C4H8OS.
What is the molecular weight of 1-氧杂-4-硫杂环己烷?
The molecular weight of 1-氧杂-4-硫杂环己烷 is 104.03 g/mol.
Where can I buy 1-氧杂-4-硫杂环己烷?
You can request a quote for 1-氧杂-4-硫杂环己烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氧杂-4-硫杂环己烷?
Yes, KEHONG BIO provides custom synthesis services for 1-氧杂-4-硫杂环己烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.