N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate
TL;DR: N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate (CAS 28937-20-4) is a chemical compound with molecular formula C13H13N3S and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate
Also Known As: N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate, [(6-methylpyridin-1-yl)amino]-phenylimino-methanethiolate
| Molecular Formula | C13H13N3S |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 2.06062 |
| Topological Polar Surface Area | 28.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.08302 |
| Heavy Atoms | 17 |
| Complexity | 523.1976 |
Chemical Identifiers
| CAS Number | 28937-20-4 |
|---|---|
| SMILES | CC1=CC=CC=[N+]1NC(=NC2=CC=CC=C2)[S-] |
Product Overview
N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate (CAS 28937-20-4), with molecular formula C13H13N3S and molecular weight 243.08 g/mol. IUPAC: N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate.
Chemical Property Profile of N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate
Property Insights of N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate
The XLogP value of 2.06062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate. With a topological polar surface area (TPSA) of 28.27 Ų, N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate 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
Frequently Asked Questions
What is the CAS number of N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate?
The CAS number of N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate is 28937-20-4.
What is the molecular formula of N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate?
The molecular formula of N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate is C13H13N3S.
What is the molecular weight of N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate?
The molecular weight of N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate is 243.08 g/mol.
Where can I buy N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate?
You can request a quote for N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methylpyridin-1-ium-1-yl)-N'-phenylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.