1,4-Oxathian-2-one
TL;DR: 1,4-Oxathian-2-one (CAS 5512-70-9) is a chemical compound with molecular formula C4H6O2S and molecular weight 118.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-oxathian-2-one
Also Known As: 1,4-Oxathian-2-one, thiomorpholine-3-one, tetrahydro-4-thiapyrone, Acetic acid, [(2-hydroxyethyl)thio]-, .delta.-lactone, Acetic acid, ((2-hydroxyethyl)thio)-, delta-lactone
| Molecular Formula | C4H6O2S |
|---|---|
| Molecular Weight | 118.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.00885 |
| Heavy Atoms | 7 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 5512-70-9 |
|---|---|
| SMILES | C1CSCC(=O)O1 |
| InChIKey | NTQWRATXYSFYJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Oxathian-2-one (CAS 5512-70-9), with molecular formula C4H6O2S and molecular weight 118.01 g/mol. IUPAC: 1,4-oxathian-2-one.
Chemical Property Profile of 1,4-Oxathian-2-one
Property Insights of 1,4-Oxathian-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Oxathian-2-one. With a topological polar surface area (TPSA) of 51.6 Ų, 1,4-Oxathian-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Oxathian-2-one 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-Oxathian-2-one?
The CAS number of 1,4-Oxathian-2-one is 5512-70-9.
What is the molecular formula of 1,4-Oxathian-2-one?
The molecular formula of 1,4-Oxathian-2-one is C4H6O2S.
What is the molecular weight of 1,4-Oxathian-2-one?
The molecular weight of 1,4-Oxathian-2-one is 118.01 g/mol.
Where can I buy 1,4-Oxathian-2-one?
You can request a quote for 1,4-Oxathian-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Oxathian-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Oxathian-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.