N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate
TL;DR: N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate (CAS 108540-63-2) is a chemical compound with molecular formula C12H10ClN3S and molecular weight 263.02838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate
Also Known As: N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate, N-(4-chlorophenyl)-N'-(1-pyridiniumyl)imidothiocarbamate, AQ-405/42300084, (4-Chlorophenyl)(pyridin-1-ium-1-ylcarbamothioyl)amide
Technical Specifications
| Molecular Formula | C12H10ClN3S |
| Molecular Weight | 263.02838 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.02838 Da |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
| SMILES | C1=CC=[N+](C=C1)NC(=NC2=CC=C(C=C2)Cl)[S-] |
| InChIKey | YQKMVHJDMCWVLF-UHFFFAOYSA-N |
Chemical Property Profile of N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate
Property Insights of N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate
The XLogP value of 3.6 indicates that N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.3 Ų, N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate?
The CAS number of N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate is 108540-63-2.
What is the molecular formula of N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate?
The molecular formula of N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate is C12H10ClN3S.
What is the molecular weight of N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate?
The molecular weight of N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate is 263.02838 g/mol.
Where can I buy N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate?
You can request a quote for N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate?
Yes, CoreyChem provides custom synthesis services for N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.