硫杂环辛-5-酮 1,1-二氧化物
TL;DR: 硫杂环辛-5-酮 1,1-二氧化物 (CAS 36165-02-3) is a chemical compound with molecular formula C7H12O3S and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫杂环辛-5-酮 1,1-二氧化物
1,1-dioxothiocan-5-one
Also Known As: thiocan-5-one 1,1-dioxide, 1,1-dioxothiocan-5-one, 5-Thiocanone,1,1-dioxide, 1lambda~6~-Thiocane-1,1,5-trione, 1-thiacyclooctane-5-one 1,1-dioxide
| Molecular Formula | C7H12O3S |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05072 |
| Heavy Atoms | 11 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 36165-02-3 |
|---|---|
| SMILES | C1CC(=O)CCCS(=O)(=O)C1 |
| InChIKey | PVNJHJLDXZOLSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫杂环辛-5-酮 1,1-二氧化物 (CAS 36165-02-3), with molecular formula C7H12O3S and molecular weight 176.05 g/mol. IUPAC: 1,1-dioxothiocan-5-one.
Chemical Property Profile of 硫杂环辛-5-酮 1,1-二氧化物
Property Insights of 硫杂环辛-5-酮 1,1-二氧化物
The XLogP value of -0.2 indicates that 硫杂环辛-5-酮 1,1-二氧化物 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, 硫杂环辛-5-酮 1,1-二氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫杂环辛-5-酮 1,1-二氧化物 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 硫杂环辛-5-酮 1,1-二氧化物?
The CAS number of 硫杂环辛-5-酮 1,1-二氧化物 is 36165-02-3.
What is the molecular formula of 硫杂环辛-5-酮 1,1-二氧化物?
The molecular formula of 硫杂环辛-5-酮 1,1-二氧化物 is C7H12O3S.
What is the molecular weight of 硫杂环辛-5-酮 1,1-二氧化物?
The molecular weight of 硫杂环辛-5-酮 1,1-二氧化物 is 176.05 g/mol.
Where can I buy 硫杂环辛-5-酮 1,1-二氧化物?
You can request a quote for 硫杂环辛-5-酮 1,1-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫杂环辛-5-酮 1,1-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 硫杂环辛-5-酮 1,1-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.