1Lambda6-thiepane-1,1,4-trione
TL;DR: 1Lambda6-thiepane-1,1,4-trione (CAS 41511-88-0) is a chemical compound with molecular formula C6H10O3S and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxothiepan-4-one
Also Known As: 1lambda6-thiepane-1,1,4-trione, 1,1-dioxothiepan-4-one, 4-thiepanone S,S-dioxide, 4-Thiepanone, 1,1-dioxide, 4-?Thiepanone 1,?1-?dioxide
| Molecular Formula | C6H10O3S |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.03506 |
| Heavy Atoms | 10 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 41511-88-0 |
|---|---|
| SMILES | C1CC(=O)CCS(=O)(=O)C1 |
| InChIKey | KDZIXNJWKFGGSI-UHFFFAOYSA-N |
Product Overview
1Lambda6-thiepane-1,1,4-trione (CAS 41511-88-0), with molecular formula C6H10O3S and molecular weight 162.04 g/mol. IUPAC: 1,1-dioxothiepan-4-one.
Chemical Property Profile of 1Lambda6-thiepane-1,1,4-trione
Property Insights of 1Lambda6-thiepane-1,1,4-trione
The XLogP value of -0.6 indicates that 1Lambda6-thiepane-1,1,4-trione 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, 1Lambda6-thiepane-1,1,4-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1Lambda6-thiepane-1,1,4-trione 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 1Lambda6-thiepane-1,1,4-trione?
The CAS number of 1Lambda6-thiepane-1,1,4-trione is 41511-88-0.
What is the molecular formula of 1Lambda6-thiepane-1,1,4-trione?
The molecular formula of 1Lambda6-thiepane-1,1,4-trione is C6H10O3S.
What is the molecular weight of 1Lambda6-thiepane-1,1,4-trione?
The molecular weight of 1Lambda6-thiepane-1,1,4-trione is 162.04 g/mol.
Where can I buy 1Lambda6-thiepane-1,1,4-trione?
You can request a quote for 1Lambda6-thiepane-1,1,4-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1Lambda6-thiepane-1,1,4-trione?
Yes, KEHONG BIO provides custom synthesis services for 1Lambda6-thiepane-1,1,4-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.