5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione
TL;DR: 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione (CAS 16101-90-9) is a chemical compound with molecular formula C9H6S4 and molecular weight 241.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-5-sulfanyldithiole-3-thione
Also Known As: 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione, 4-phenyl-5-sulfanyldithiole-3-thione, 4-Phenyl-5-sulfanyl-3H-1,2-dithiole-3-thione, 5150AD, 4-phenyl-5-sulfanyl-dithiole-3-thione
| Molecular Formula | C9H6S4 |
|---|---|
| Molecular Weight | 241.94 g/mol |
| LogP | 4.49479 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.93524 |
| Heavy Atoms | 13 |
| Complexity | 451.96698 |
Chemical Identifiers
| CAS Number | 16101-90-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SSC2=S)S |
Product Overview
5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione (CAS 16101-90-9), with molecular formula C9H6S4 and molecular weight 241.94 g/mol. IUPAC: 4-phenyl-5-sulfanyldithiole-3-thione.
Chemical Property Profile of 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione
Property Insights of 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione
The XLogP value of 4.49479 indicates that 5-Mercapto-4-phenyl-3H-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-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione has 1 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-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione?
The CAS number of 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione is 16101-90-9.
What is the molecular formula of 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione?
The molecular formula of 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione is C9H6S4.
What is the molecular weight of 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione?
The molecular weight of 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione is 241.94 g/mol.
Where can I buy 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione?
You can request a quote for 5-Mercapto-4-phenyl-3H-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-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.