5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮
TL;DR: 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 (CAS 6921-83-1) is a chemical compound with molecular formula C10H8S3 and molecular weight 223.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮
5-(4-methylphenyl)dithiole-3-thione
Also Known As: 5-(4-methylphenyl)dithiole-3-thione, 5-(p-tolyl)dithiole-3-thione, 3H-1,2-Dithiole-3-thione, 5-(4-methylphenyl)-, 5-(4-Methylphenyl)-3H-1,2-dithiole-3-thione, 5-(p-Tolyl)-3H-1,2-dithiole-3-thione
| Molecular Formula | C10H8S3 |
|---|---|
| Molecular Weight | 223.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.97882 |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 6921-83-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=S)SS2 |
| InChIKey | VZVOTQGHDNUUFT-UHFFFAOYSA-N |
Product Overview
5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 (CAS 6921-83-1), with molecular formula C10H8S3 and molecular weight 223.98 g/mol. IUPAC: 5-(4-methylphenyl)dithiole-3-thione.
Chemical Property Profile of 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮
Property Insights of 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮
The XLogP value of 3.2 indicates that 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮. Following Lipinski's Rule of Five, 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 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-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮?
The CAS number of 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 is 6921-83-1.
What is the molecular formula of 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮?
The molecular formula of 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 is C10H8S3.
What is the molecular weight of 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮?
The molecular weight of 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮 is 223.98 g/mol.
Where can I buy 5-(4-甲基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮?
You can request a quote for 5-(4-甲基苯基)-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.