5-苯基-1,2-二硫杂环戊烯-3-酮
TL;DR: 5-苯基-1,2-二硫杂环戊烯-3-酮 (CAS 827-42-9) is a chemical compound with molecular formula C9H6OS2 and molecular weight 193.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-苯基-1,2-二硫杂环戊烯-3-酮
5-phenyldithiol-3-one
Also Known As: 5-phenyldithiol-3-one, 5-Phenyl-3H-1,2-dithiol-3-one, 3H-1,2-Dithiol-3-one, 5-phenyl-, 5-phenyl-3-dithiolone, 5-phenyl-1,2-dithiol-3-one
| Molecular Formula | C9H6OS2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.98601 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 827-42-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)SS2 |
| InChIKey | ZCDDSVYFACNQAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-苯基-1,2-二硫杂环戊烯-3-酮 (CAS 827-42-9), with molecular formula C9H6OS2 and molecular weight 193.99 g/mol. IUPAC: 5-phenyldithiol-3-one.
Chemical Property Profile of 5-苯基-1,2-二硫杂环戊烯-3-酮
Property Insights of 5-苯基-1,2-二硫杂环戊烯-3-酮
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-苯基-1,2-二硫杂环戊烯-3-酮. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-苯基-1,2-二硫杂环戊烯-3-酮. Following Lipinski's Rule of Five, 5-苯基-1,2-二硫杂环戊烯-3-酮 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 5-苯基-1,2-二硫杂环戊烯-3-酮?
The CAS number of 5-苯基-1,2-二硫杂环戊烯-3-酮 is 827-42-9.
What is the molecular formula of 5-苯基-1,2-二硫杂环戊烯-3-酮?
The molecular formula of 5-苯基-1,2-二硫杂环戊烯-3-酮 is C9H6OS2.
What is the molecular weight of 5-苯基-1,2-二硫杂环戊烯-3-酮?
The molecular weight of 5-苯基-1,2-二硫杂环戊烯-3-酮 is 193.99 g/mol.
Where can I buy 5-苯基-1,2-二硫杂环戊烯-3-酮?
You can request a quote for 5-苯基-1,2-二硫杂环戊烯-3-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苯基-1,2-二硫杂环戊烯-3-酮?
Yes, KEHONG BIO provides custom synthesis services for 5-苯基-1,2-二硫杂环戊烯-3-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.