5-Ethyl-4-phenyl-1,2-dithiole-3-thione
TL;DR: 5-Ethyl-4-phenyl-1,2-dithiole-3-thione (CAS 146252-75-7) is a chemical compound with molecular formula C11H10S3 and molecular weight 237.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-4-phenyldithiole-3-thione
Also Known As: 5-ethyl-4-phenyl-dithiole-3-thione, 5-Ethyl-4-phenyl-1,2-dithiole-3-thione, 5-ethyl-4-phenyl-3H-1,2-dithiole-3-thione, 4-Phenyl-5-ethyl-3H-1,2-dithiol-3-thione, RefChem:302982
| Molecular Formula | C11H10S3 |
|---|---|
| Molecular Weight | 237.99 g/mol |
| LogP | 4.76849 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.99446 |
| Heavy Atoms | 14 |
| Complexity | 464.7779 |
Chemical Identifiers
| CAS Number | 146252-75-7 |
|---|---|
| SMILES | CCC1=C(C(=S)SS1)C2=CC=CC=C2 |
Product Overview
5-Ethyl-4-phenyl-1,2-dithiole-3-thione (CAS 146252-75-7), with molecular formula C11H10S3 and molecular weight 237.99 g/mol. IUPAC: 5-ethyl-4-phenyldithiole-3-thione.
Chemical Property Profile of 5-Ethyl-4-phenyl-1,2-dithiole-3-thione
Property Insights of 5-Ethyl-4-phenyl-1,2-dithiole-3-thione
The XLogP value of 4.76849 indicates that 5-Ethyl-4-phenyl-1,2-dithiole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Ethyl-4-phenyl-1,2-dithiole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-4-phenyl-1,2-dithiole-3-thione 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-Ethyl-4-phenyl-1,2-dithiole-3-thione?
The CAS number of 5-Ethyl-4-phenyl-1,2-dithiole-3-thione is 146252-75-7.
What is the molecular formula of 5-Ethyl-4-phenyl-1,2-dithiole-3-thione?
The molecular formula of 5-Ethyl-4-phenyl-1,2-dithiole-3-thione is C11H10S3.
What is the molecular weight of 5-Ethyl-4-phenyl-1,2-dithiole-3-thione?
The molecular weight of 5-Ethyl-4-phenyl-1,2-dithiole-3-thione is 237.99 g/mol.
Where can I buy 5-Ethyl-4-phenyl-1,2-dithiole-3-thione?
You can request a quote for 5-Ethyl-4-phenyl-1,2-dithiole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-4-phenyl-1,2-dithiole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-4-phenyl-1,2-dithiole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.