Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
TL;DR: Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate (CAS 51308-74-8) 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-heptylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
Also Known As: Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate, Carbonimidodithioic acid, 3-pyridinyl-, heptyl (4-(1-methylethyl)phenyl)methyl ester, 1-heptylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine, Ethyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
| Molecular Formula | C23H32N2S2 |
|---|---|
| Molecular Weight | 400.20 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 400.20068 |
| Heavy Atoms | 27 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 51308-74-8 |
|---|---|
| SMILES | CCCCCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)C |
| InChIKey | RHUROUFPNYQFHS-UHFFFAOYSA-N |
Product Overview
Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate (CAS 51308-74-8), with molecular formula C23H32N2S2 and molecular weight 400.20 g/mol. IUPAC: 1-heptylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine.
Chemical Property Profile of Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
Property Insights of Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
The XLogP value of 8.1 indicates that Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate. Following Lipinski's Rule of Five, Heptyl (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 Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
The CAS number of Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate is 51308-74-8.
What is the molecular formula of Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
The molecular formula of Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate is C23H32N2S2.
What is the molecular weight of Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
The molecular weight of Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate is 400.20 g/mol.
Where can I buy Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
You can request a quote for Heptyl (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 Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.