(4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate
TL;DR: (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate (CAS 51308-60-2) is a chemical compound with molecular formula C23H32N2S2 and molecular weight 400.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenyl)methylsulfanyl]-1-hexylsulfanyl-N-pyridin-3-ylmethanimine
Also Known As: (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate, Carbonimidodithioic acid, 3-pyridinyl-, (4-(1,1-dimethylethyl)phenyl)methyl hexyl ester, 1-[(4-tert-butylphenyl)methylsulfanyl]-1-hexylsulfanyl-N-pyridin-3-ylmethanimine, 1-[(4-tert-butylphenyl)methylsulfanyl]-1-heptylsulfanyl-N-pyridin-3-ylmethanimine
| Molecular Formula | C23H32N2S2 |
|---|---|
| Molecular Weight | 400.20 g/mol |
| LogP | 7.6135 |
| Topological Polar Surface Area | 25.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.20068 |
| Heavy Atoms | 27 |
| Complexity | 688.56836 |
Chemical Identifiers
| CAS Number | 51308-60-2 |
|---|---|
| SMILES | CCCCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C |
Product Overview
(4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate (CAS 51308-60-2), with molecular formula C23H32N2S2 and molecular weight 400.20 g/mol. IUPAC: 1-[(4-tert-butylphenyl)methylsulfanyl]-1-hexylsulfanyl-N-pyridin-3-ylmethanimine.
Chemical Property Profile of (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate
Property Insights of (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate
The XLogP value of 7.6135 indicates that (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 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, (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 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 (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate?
The CAS number of (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate is 51308-60-2.
What is the molecular formula of (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate?
The molecular formula of (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate is C23H32N2S2.
What is the molecular weight of (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate?
The molecular weight of (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate is 400.20 g/mol.
Where can I buy (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate?
You can request a quote for (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.