5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮
TL;DR: 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 (CAS 532-11-6) is a chemical compound with molecular formula C10H8OS3 and molecular weight 239.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮
5-(4-methoxyphenyl)dithiole-3-thione
Also Known As: Anethole trithione, anetholtrithion, Sulfarlem, Tiopropen, Felviten
| Molecular Formula | C10H8OS3 |
|---|---|
| Molecular Weight | 239.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.97372 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 532-11-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=S)SS2 |
| InChIKey | KYLIZBIRMBGUOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 (CAS 532-11-6), with molecular formula C10H8OS3 and molecular weight 239.97 g/mol. IUPAC: 5-(4-methoxyphenyl)dithiole-3-thione.
Chemical Property Profile of 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮
Property Insights of 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮. Following Lipinski's Rule of Five, 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 has 0 hydrogen bond donor(s) and 4 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-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮?
The CAS number of 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 is 532-11-6.
What is the molecular formula of 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮?
The molecular formula of 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 is C10H8OS3.
What is the molecular weight of 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮?
The molecular weight of 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 is 239.97 g/mol.
Where can I buy 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮?
You can request a quote for 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.