1Lambda4-thiane-1,4-dione
TL;DR: 1Lambda4-thiane-1,4-dione (CAS 17396-36-0) is a chemical compound with molecular formula C5H8O2S and molecular weight 132.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxothian-4-one
Also Known As: Tetrahydro-4H-thiopyran-4-one 1-oxide, 1-oxothian-4-one, Thian-4-one S-oxide, 4-thianone S-oxide, 4-Oxothiane 1-oxide
| Molecular Formula | C5H8O2S |
|---|---|
| Molecular Weight | 132.02 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.0245 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 17396-36-0 |
|---|---|
| SMILES | C1CS(=O)CCC1=O |
| InChIKey | CZSXIGLHRRJGPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1Lambda4-thiane-1,4-dione (CAS 17396-36-0), with molecular formula C5H8O2S and molecular weight 132.02 g/mol. IUPAC: 1-oxothian-4-one.
Chemical Property Profile of 1Lambda4-thiane-1,4-dione
Property Insights of 1Lambda4-thiane-1,4-dione
The XLogP value of -1.3 indicates that 1Lambda4-thiane-1,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.4 Ų, 1Lambda4-thiane-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1Lambda4-thiane-1,4-dione 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 1Lambda4-thiane-1,4-dione?
The CAS number of 1Lambda4-thiane-1,4-dione is 17396-36-0.
What is the molecular formula of 1Lambda4-thiane-1,4-dione?
The molecular formula of 1Lambda4-thiane-1,4-dione is C5H8O2S.
What is the molecular weight of 1Lambda4-thiane-1,4-dione?
The molecular weight of 1Lambda4-thiane-1,4-dione is 132.02 g/mol.
Where can I buy 1Lambda4-thiane-1,4-dione?
You can request a quote for 1Lambda4-thiane-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1Lambda4-thiane-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1Lambda4-thiane-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.