S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate
TL;DR: S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate (CAS 51308-62-4) is a chemical compound with molecular formula C20H26N2OS and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(4-tert-butylphenyl)methyl] N-(2-propyl-3-pyridinyl)carbamothioate
Also Known As: S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate, Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl) O-propyl ester, (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate, S-[(4-tert-butylphenyl)methyl] N-(2-propylpyridin-3-yl)carbamothioate, S-[4-(2-Methyl-2-propanyl)benzyl] (2-propyl-3-pyridinyl)carbamoth ioate
| Molecular Formula | C20H26N2OS |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 5.7969 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.17657 |
| Heavy Atoms | 24 |
| Complexity | 674.7834 |
Chemical Identifiers
| CAS Number | 51308-62-4 |
|---|---|
| SMILES | CCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C |
Product Overview
S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate (CAS 51308-62-4), with molecular formula C20H26N2OS and molecular weight 342.18 g/mol. IUPAC: S-[(4-tert-butylphenyl)methyl] N-(2-propyl-3-pyridinyl)carbamothioate.
Chemical Property Profile of S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate
Property Insights of S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate
The XLogP value of 5.7969 indicates that S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate?
The CAS number of S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate is 51308-62-4.
What is the molecular formula of S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate?
The molecular formula of S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate is C20H26N2OS.
What is the molecular weight of S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate?
The molecular weight of S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate is 342.18 g/mol.
Where can I buy S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate?
You can request a quote for S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate?
Yes, KEHONG BIO provides custom synthesis services for S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-propyl 3-pyridinylcarbonimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.