1,3-Oxathiane
TL;DR: 1,3-Oxathiane (CAS 646-12-8) 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.
1,3-oxathiane
Also Known As: 1,3-Oxathiane, 1,3-Thioxane, 1,3-oxathian, 1-Oxa-3-thiacyclohexane, RefChem:72892
| Molecular Formula | C4H8OS |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 1.0 |
| 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 | 38.0 |
Chemical Identifiers
| CAS Number | 646-12-8 |
|---|---|
| SMILES | C1COCSC1 |
| InChIKey | QVFHFKPGBODJJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Oxathiane (CAS 646-12-8), with molecular formula C4H8OS and molecular weight 104.03 g/mol. IUPAC: 1,3-oxathiane.
Chemical Property Profile of 1,3-Oxathiane
Property Insights of 1,3-Oxathiane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiane. With a topological polar surface area (TPSA) of 34.5 Ų, 1,3-Oxathiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Oxathiane 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 1,3-Oxathiane?
The CAS number of 1,3-Oxathiane is 646-12-8.
What is the molecular formula of 1,3-Oxathiane?
The molecular formula of 1,3-Oxathiane is C4H8OS.
What is the molecular weight of 1,3-Oxathiane?
The molecular weight of 1,3-Oxathiane is 104.03 g/mol.
Where can I buy 1,3-Oxathiane?
You can request a quote for 1,3-Oxathiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Oxathiane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.