2-硫杂环庚酮
TL;DR: 2-硫杂环庚酮 (CAS 17689-16-6) is a chemical compound with molecular formula C6H10OS and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-硫杂环庚酮
thiepan-2-one
Also Known As: Thiepan-2-one, 2-Thiepanone, epsilon-Thiocaprolactone, Hexanoic acid, 6-mercapto-, epsilon-(thiolactone), 4,5,6,7-Tetrahydrothiepin-2(3H)-one
| Molecular Formula | C6H10OS |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.04524 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 17689-16-6 |
|---|---|
| SMILES | C1CCC(=O)SCC1 |
| InChIKey | UCUOVADUXMCWOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硫杂环庚酮 (CAS 17689-16-6), with molecular formula C6H10OS and molecular weight 130.05 g/mol. IUPAC: thiepan-2-one.
Chemical Property Profile of 2-硫杂环庚酮
Property Insights of 2-硫杂环庚酮
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硫杂环庚酮. With a topological polar surface area (TPSA) of 42.4 Ų, 2-硫杂环庚酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-硫杂环庚酮 has 0 hydrogen bond donor(s) and 2 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 2-硫杂环庚酮?
The CAS number of 2-硫杂环庚酮 is 17689-16-6.
What is the molecular formula of 2-硫杂环庚酮?
The molecular formula of 2-硫杂环庚酮 is C6H10OS.
What is the molecular weight of 2-硫杂环庚酮?
The molecular weight of 2-硫杂环庚酮 is 130.05 g/mol.
Where can I buy 2-硫杂环庚酮?
You can request a quote for 2-硫杂环庚酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硫杂环庚酮?
Yes, KEHONG BIO provides custom synthesis services for 2-硫杂环庚酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.