Thiane-3,5-dione
TL;DR: Thiane-3,5-dione (CAS 6881-49-8) is a chemical compound with molecular formula C5H6O2S and molecular weight 130.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiane-3,5-dione
Also Known As: 2H-Thiopyran-3,5(4H,6H)-dione, thiane-3,5-dione, 3,5-thiopyrandione, tetrahydrothiopyran-3,5-dione, thiopyran-3,5-dione
| Molecular Formula | C5H6O2S |
|---|---|
| Molecular Weight | 130.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.00885 |
| Heavy Atoms | 8 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 6881-49-8 |
|---|---|
| SMILES | C1C(=O)CSCC1=O |
| InChIKey | VDHPFHUCOPGRLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiane-3,5-dione (CAS 6881-49-8), with molecular formula C5H6O2S and molecular weight 130.01 g/mol. IUPAC: thiane-3,5-dione.
Chemical Property Profile of Thiane-3,5-dione
Property Insights of Thiane-3,5-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiane-3,5-dione. With a topological polar surface area (TPSA) of 59.4 Ų, Thiane-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiane-3,5-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 Thiane-3,5-dione?
The CAS number of Thiane-3,5-dione is 6881-49-8.
What is the molecular formula of Thiane-3,5-dione?
The molecular formula of Thiane-3,5-dione is C5H6O2S.
What is the molecular weight of Thiane-3,5-dione?
The molecular weight of Thiane-3,5-dione is 130.01 g/mol.
Where can I buy Thiane-3,5-dione?
You can request a quote for Thiane-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiane-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for Thiane-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.