4,5-Bis(benzylthio)-3-pyridazinethiol
TL;DR: 4,5-Bis(benzylthio)-3-pyridazinethiol (CAS 6958-59-4) is a chemical compound with molecular formula C18H16N2S3 and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(benzylsulfanyl)-1H-pyridazine-6-thione
Also Known As: 4,5-Bis(benzylthio)-3-pyridazinethiol, 5-Nitro-indol-3-carbonsaeure, 4,5-bis(benzylsulfanyl)-1H-pyridazine-6-thione, 4,5-bis(benzylsulfanyl)pyridazine-3-thiol, 3-PYRIDAZINETHIOL, 4,5-BIS(BENZYLTHIO)-
| Molecular Formula | C18H16N2S3 |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 5.72379 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.04758 |
| Heavy Atoms | 23 |
| Complexity | 801.2555 |
Chemical Identifiers
| CAS Number | 6958-59-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=S)NN=C2)SCC3=CC=CC=C3 |
Product Overview
4,5-Bis(benzylthio)-3-pyridazinethiol (CAS 6958-59-4), with molecular formula C18H16N2S3 and molecular weight 356.05 g/mol. IUPAC: 4,5-bis(benzylsulfanyl)-1H-pyridazine-6-thione.
Chemical Property Profile of 4,5-Bis(benzylthio)-3-pyridazinethiol
Property Insights of 4,5-Bis(benzylthio)-3-pyridazinethiol
The XLogP value of 5.72379 indicates that 4,5-Bis(benzylthio)-3-pyridazinethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 4,5-Bis(benzylthio)-3-pyridazinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Bis(benzylthio)-3-pyridazinethiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Bis(benzylthio)-3-pyridazinethiol?
The CAS number of 4,5-Bis(benzylthio)-3-pyridazinethiol is 6958-59-4.
What is the molecular formula of 4,5-Bis(benzylthio)-3-pyridazinethiol?
The molecular formula of 4,5-Bis(benzylthio)-3-pyridazinethiol is C18H16N2S3.
What is the molecular weight of 4,5-Bis(benzylthio)-3-pyridazinethiol?
The molecular weight of 4,5-Bis(benzylthio)-3-pyridazinethiol is 356.05 g/mol.
Where can I buy 4,5-Bis(benzylthio)-3-pyridazinethiol?
You can request a quote for 4,5-Bis(benzylthio)-3-pyridazinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Bis(benzylthio)-3-pyridazinethiol?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(benzylthio)-3-pyridazinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.