Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester
TL;DR: Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester (CAS 51308-66-8) is a chemical compound with molecular formula C21H28N2OS and molecular weight 356.19 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-butan-2-yl-3-pyridinyl)carbamothioate
Also Known As: Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester, S-[(4-tert-butylphenyl)methyl] N-(2-butan-2-ylpyridin-3-yl)carbamothioate, (4-(1,1-Dimethylethyl)phenyl)methyl hexyl 3-pyridinylcarbonimidodithioate, N-(2-butan-2-ylpyridin-3-yl)-1-[(4-tert-butylphenyl)methylsulfanyl]formamide, S-[(4-tert-Butylphenyl)methyl] hydrogen [2-(butan-2-yl)pyridin-3-yl]carbonimidothioate
| Molecular Formula | C21H28N2OS |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | 6.3579 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.19223 |
| Heavy Atoms | 25 |
| Complexity | 704.5811 |
Chemical Identifiers
| CAS Number | 51308-66-8 |
|---|---|
| SMILES | CCC(C)C1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C |
Product Overview
Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester (CAS 51308-66-8), with molecular formula C21H28N2OS and molecular weight 356.19 g/mol. IUPAC: S-[(4-tert-butylphenyl)methyl] N-(2-butan-2-yl-3-pyridinyl)carbamothioate.
Chemical Property Profile of Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester
Property Insights of Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester
The XLogP value of 6.3579 indicates that Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester 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 Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester?
The CAS number of Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester is 51308-66-8.
What is the molecular formula of Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester?
The molecular formula of Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester is C21H28N2OS.
What is the molecular weight of Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester?
The molecular weight of Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester is 356.19 g/mol.
Where can I buy Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester?
You can request a quote for Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(1-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.