O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate
TL;DR: O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate (CAS 51308-77-1) is a chemical compound with molecular formula C17H19ClN2OS and molecular weight 334.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-methylpropyl) N-[2-[(4-chlorophenyl)methyl]-3-pyridinyl]carbamothioate
Also Known As: O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate, Carbonimidothioic acid, 3-pyridinyl-, O-((4-chlorophenyl)methyl) S-(2-methylpropyl) ester, S-(2-methylpropyl) N-[2-[(4-chlorophenyl)methyl]pyridin-3-yl]carbamothioate, S-(2-Methylpropyl) {2-[(4-chlorophenyl)methyl]pyridin-3-yl}carbamothioate, Carbonimidothioic acid,3-pyridinyl-, O-[(4-chlorophenyl)methyl] S-(2-methylpropyl) ester (9CI)
| Molecular Formula | C17H19ClN2OS |
|---|---|
| Molecular Weight | 334.09 g/mol |
| LogP | 5.2469 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.09067 |
| Heavy Atoms | 22 |
| Complexity | 628.811 |
Chemical Identifiers
| CAS Number | 51308-77-1 |
|---|---|
| SMILES | CC(C)CSC(=O)NC1=C(N=CC=C1)CC2=CC=C(C=C2)Cl |
Product Overview
O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate (CAS 51308-77-1), with molecular formula C17H19ClN2OS and molecular weight 334.09 g/mol. IUPAC: S-(2-methylpropyl) N-[2-[(4-chlorophenyl)methyl]-3-pyridinyl]carbamothioate.
Chemical Property Profile of O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate
Property Insights of O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate
The XLogP value of 5.2469 indicates that O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 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, O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 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 O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate?
The CAS number of O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate is 51308-77-1.
What is the molecular formula of O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate?
The molecular formula of O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate is C17H19ClN2OS.
What is the molecular weight of O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate?
The molecular weight of O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate is 334.09 g/mol.
Where can I buy O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate?
You can request a quote for O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate?
Yes, KEHONG BIO provides custom synthesis services for O-((4-Chlorophenyl)methyl) S-(2-methylpropyl) 3-pyridinylcarbonimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.