(4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate
TL;DR: (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate (CAS 39481-28-2) is a chemical compound with molecular formula C20H26N2S2 and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenyl)methylsulfanyl]-1-propan-2-ylsulfanyl-N-pyridin-3-ylmethanimine
Also Known As: (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate, Carbonimidodithioic acid, 3-pyridinyl-, (4-(1,1-dimethylethyl)phenyl)methyl 1-methylethyl ester, 3,4-dichlorophenyl methyl(2-butylpyridin-3-yl)carbonodithioimidate, carbonimidodithioic acid, 3-pyridinyl-,(4-(1,1-dimethylethyl)phenyl)methyl 1-methylethyl ester, 1-[(4-tert-butylphenyl)methylsulfanyl]-1-propan-2-ylsulfanyl-N-pyridin-3-ylmethanimine
| Molecular Formula | C20H26N2S2 |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.15375 |
| Heavy Atoms | 24 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 39481-28-2 |
|---|---|
| SMILES | CC(C)SC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C |
| InChIKey | WRJWIQFJAUWDCV-UHFFFAOYSA-N |
Product Overview
(4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate (CAS 39481-28-2), with molecular formula C20H26N2S2 and molecular weight 358.15 g/mol. IUPAC: 1-[(4-tert-butylphenyl)methylsulfanyl]-1-propan-2-ylsulfanyl-N-pyridin-3-ylmethanimine.
Chemical Property Profile of (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate
Property Insights of (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate
The XLogP value of 6.5 indicates that (4- methyl1-methylethyl-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 (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate. Following Lipinski's Rule of Five, (4- methyl1-methylethyl-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- methyl1-methylethyl-3-pyridinylcarbonimidodithioate?
The CAS number of (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate is 39481-28-2.
What is the molecular formula of (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate?
The molecular formula of (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate is C20H26N2S2.
What is the molecular weight of (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate?
The molecular weight of (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate is 358.15 g/mol.
Where can I buy (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate?
You can request a quote for (4- methyl1-methylethyl-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- methyl1-methylethyl-3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4- methyl1-methylethyl-3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.