4-Phenyl-1,2,4-triazolidine-3,5-dithione
TL;DR: 4-Phenyl-1,2,4-triazolidine-3,5-dithione (CAS 2209-60-1) is a chemical compound with molecular formula C8H7N3S2 and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-1,2,4-triazolidine-3,5-dithione
Also Known As: 4-phenyl-1,2,4-triazolidine-3,5-dithione, 4-Phenyl-4H-1,2,4-triazole-3,5-dithiol, 3,5-Dithio-4-phenyl-1.2.4-triazolidin, 1,2,4-Triazolidine-3,5-dithione, 4-phenyl-, RefChem:295423
| Molecular Formula | C8H7N3S2 |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 2.59248 |
| Topological Polar Surface Area | 36.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.00813 |
| Heavy Atoms | 13 |
| Complexity | 478.43057 |
Chemical Identifiers
| CAS Number | 2209-60-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=S)NNC2=S |
Product Overview
4-Phenyl-1,2,4-triazolidine-3,5-dithione (CAS 2209-60-1), with molecular formula C8H7N3S2 and molecular weight 209.01 g/mol. IUPAC: 4-phenyl-1,2,4-triazolidine-3,5-dithione.
Chemical Property Profile of 4-Phenyl-1,2,4-triazolidine-3,5-dithione
Property Insights of 4-Phenyl-1,2,4-triazolidine-3,5-dithione
The XLogP value of 2.59248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-1,2,4-triazolidine-3,5-dithione. With a topological polar surface area (TPSA) of 36.51 Ų, 4-Phenyl-1,2,4-triazolidine-3,5-dithione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-1,2,4-triazolidine-3,5-dithione has 2 hydrogen bond donor(s) and 2 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 4-Phenyl-1,2,4-triazolidine-3,5-dithione?
The CAS number of 4-Phenyl-1,2,4-triazolidine-3,5-dithione is 2209-60-1.
What is the molecular formula of 4-Phenyl-1,2,4-triazolidine-3,5-dithione?
The molecular formula of 4-Phenyl-1,2,4-triazolidine-3,5-dithione is C8H7N3S2.
What is the molecular weight of 4-Phenyl-1,2,4-triazolidine-3,5-dithione?
The molecular weight of 4-Phenyl-1,2,4-triazolidine-3,5-dithione is 209.01 g/mol.
Where can I buy 4-Phenyl-1,2,4-triazolidine-3,5-dithione?
You can request a quote for 4-Phenyl-1,2,4-triazolidine-3,5-dithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-1,2,4-triazolidine-3,5-dithione?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1,2,4-triazolidine-3,5-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.