Triazolidinedithione
TL;DR: Triazolidinedithione (CAS 58744-97-1) is a chemical compound with molecular formula C12H12BrN3S2 and molecular weight 340.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dithione
Also Known As: Triazolidinedithione, 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dithione, 1H-(1,2,4)Triazolo(1,2-a)pyridazine-1,3(2H)-dithione, tetrahydro-2-(4-bromophenyl)-, 2-(4-Bromophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dithione, 4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidine-3,5-dithione
| Molecular Formula | C12H12BrN3S2 |
|---|---|
| Molecular Weight | 340.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 340.9656 |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 58744-97-1 |
|---|---|
| SMILES | C1CCN2C(=S)N(C(=S)N2C1)C3=CC=C(C=C3)Br |
| InChIKey | LXNKRCQRMCZKJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triazolidinedithione (CAS 58744-97-1), with molecular formula C12H12BrN3S2 and molecular weight 340.97 g/mol. IUPAC: 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dithione.
Chemical Property Profile of Triazolidinedithione
Property Insights of Triazolidinedithione
The XLogP value of 3.4 indicates that Triazolidinedithione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Triazolidinedithione. Following Lipinski's Rule of Five, Triazolidinedithione has 0 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 Triazolidinedithione?
The CAS number of Triazolidinedithione is 58744-97-1.
What is the molecular formula of Triazolidinedithione?
The molecular formula of Triazolidinedithione is C12H12BrN3S2.
What is the molecular weight of Triazolidinedithione?
The molecular weight of Triazolidinedithione is 340.97 g/mol.
Where can I buy Triazolidinedithione?
You can request a quote for Triazolidinedithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triazolidinedithione?
Yes, KEHONG BIO provides custom synthesis services for Triazolidinedithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.