Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate
TL;DR: Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate (CAS 51308-76-0) is a chemical compound with molecular formula C28H34N2S2 and molecular weight 462.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis[(4-tert-butylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
Also Known As: Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate, Carbonimidodithioic acid, 3-pyridinyl-, bis((4-(1,1-dimethylethyl)phenyl)methyl) ester, 1,1-bis[(4-tert-butylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine, Bis[(4-tert-butylphenyl)methyl] pyridin-3-ylcarbonodithioimidate, Ethyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
| Molecular Formula | C28H34N2S2 |
|---|---|
| Molecular Weight | 462.22 g/mol |
| LogP | 8.5309 |
| Topological Polar Surface Area | 25.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.21634 |
| Heavy Atoms | 32 |
| Complexity | 946.7727 |
Chemical Identifiers
| CAS Number | 51308-76-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC(=NC2=CN=CC=C2)SCC3=CC=C(C=C3)C(C)(C)C |
Product Overview
Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate (CAS 51308-76-0), with molecular formula C28H34N2S2 and molecular weight 462.22 g/mol. IUPAC: 1,1-bis[(4-tert-butylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine.
Chemical Property Profile of Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate
Property Insights of Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate
The XLogP value of 8.5309 indicates that Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.25 Ų, Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate has 0 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 Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate?
The CAS number of Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate is 51308-76-0.
What is the molecular formula of Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate?
The molecular formula of Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate is C28H34N2S2.
What is the molecular weight of Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate?
The molecular weight of Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate is 462.22 g/mol.
Where can I buy Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate?
You can request a quote for Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for Bis((4-(1,1-dimethylethyl)phenyl)methyl) 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.