Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
TL;DR: Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate (CAS 51308-72-6) is a chemical compound with molecular formula C17H20N2S2 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
Also Known As: Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate, Carbonimidodithioic acid, 3-pyridinyl-, methyl (4-(1-methylethyl)phenyl)methyl ester, 1-methylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine, methyl (4-(1-methylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate
| Molecular Formula | C17H20N2S2 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 5.4889 |
| Topological Polar Surface Area | 25.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.10678 |
| Heavy Atoms | 21 |
| Complexity | 577.4989 |
Chemical Identifiers
| CAS Number | 51308-72-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CSC(=NC2=CN=CC=C2)SC |
Product Overview
Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate (CAS 51308-72-6), with molecular formula C17H20N2S2 and molecular weight 316.11 g/mol. IUPAC: 1-methylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine.
Chemical Property Profile of Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
Property Insights of Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
The XLogP value of 5.4889 indicates that Methyl (4-(1-methylethyl)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, Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (4-(1-methylethyl)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 Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
The CAS number of Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate is 51308-72-6.
What is the molecular formula of Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
The molecular formula of Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate is C17H20N2S2.
What is the molecular weight of Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
The molecular weight of Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate is 316.11 g/mol.
Where can I buy Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
You can request a quote for Methyl (4-(1-methylethyl)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 Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.