1,1-Dioxo-tetrahydro-thiopyran-4-one
TL;DR: 1,1-Dioxo-tetrahydro-thiopyran-4-one (CAS 17479-06-0) is a chemical compound with molecular formula C5H8O3S and molecular weight 148.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxothian-4-one
Also Known As: 1,1-Dioxo-tetrahydro-thiopyran-4-one, 1,1-dioxothian-4-one, 4-Tetrahydrothiopyranone 1,1-dioxide, Tetrahydrothiopyran-4-one 1,1-dioxide, 4-Thiacyclohexanone dioxide
| Molecular Formula | C5H8O3S |
|---|---|
| Molecular Weight | 148.02 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.01941 |
| Heavy Atoms | 9 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 17479-06-0 |
|---|---|
| SMILES | C1CS(=O)(=O)CCC1=O |
| InChIKey | XFMQGQAAHOGFQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dioxo-tetrahydro-thiopyran-4-one (CAS 17479-06-0), with molecular formula C5H8O3S and molecular weight 148.02 g/mol. IUPAC: 1,1-dioxothian-4-one.
Chemical Property Profile of 1,1-Dioxo-tetrahydro-thiopyran-4-one
Property Insights of 1,1-Dioxo-tetrahydro-thiopyran-4-one
The XLogP value of -0.9 indicates that 1,1-Dioxo-tetrahydro-thiopyran-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.6 Ų, 1,1-Dioxo-tetrahydro-thiopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dioxo-tetrahydro-thiopyran-4-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 1,1-Dioxo-tetrahydro-thiopyran-4-one?
The CAS number of 1,1-Dioxo-tetrahydro-thiopyran-4-one is 17479-06-0.
What is the molecular formula of 1,1-Dioxo-tetrahydro-thiopyran-4-one?
The molecular formula of 1,1-Dioxo-tetrahydro-thiopyran-4-one is C5H8O3S.
What is the molecular weight of 1,1-Dioxo-tetrahydro-thiopyran-4-one?
The molecular weight of 1,1-Dioxo-tetrahydro-thiopyran-4-one is 148.02 g/mol.
Where can I buy 1,1-Dioxo-tetrahydro-thiopyran-4-one?
You can request a quote for 1,1-Dioxo-tetrahydro-thiopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxo-tetrahydro-thiopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxo-tetrahydro-thiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.