1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1)
TL;DR: 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1) (CAS 63512-52-7) is a chemical compound with molecular formula C13H14INS and molecular weight 342.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1)
1-ethyl-4-phenylsulfanylpyridin-1-ium iodide
Also Known As: 1-Ethyl-4-(phenylthio)pyridinium iodide, Pyridinium, 1-ethyl-4-(phenylthio)-, iodide, 1-ethyl-4-(phenylsulfanyl)pyridinium iodide, Pyridinium, 1-ethyl-4-(phenylthio)-, iodide (1:1), 1-Aethyl-4-phenylmercapto-pyridinium,Jodid
| Molecular Formula | C13H14INS |
|---|---|
| Molecular Weight | 342.99 g/mol |
| LogP | 0.15 |
| Topological Polar Surface Area | 29.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.98917 |
| Heavy Atoms | 16 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 63512-52-7 |
|---|---|
| SMILES | CC[N+]1=CC=C(C=C1)SC2=CC=CC=C2.[I-] |
| InChIKey | KDAYPDWBPIWATK-UHFFFAOYSA-M |
Product Overview
1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1) (CAS 63512-52-7), with molecular formula C13H14INS and molecular weight 342.99 g/mol. IUPAC: 1-ethyl-4-phenylsulfanylpyridin-1-ium iodide.
Chemical Property Profile of 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1)
Property Insights of 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1)
The XLogP value of 0.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1). With a topological polar surface area (TPSA) of 29.2 Ų, 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1) has 0 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 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1)?
The CAS number of 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1) is 63512-52-7.
What is the molecular formula of 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1)?
The molecular formula of 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1) is C13H14INS.
What is the molecular weight of 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1)?
The molecular weight of 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1) is 342.99 g/mol.
Where can I buy 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1)?
You can request a quote for 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-乙基-4-(苯硫基)吡啶鎓碘化物(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.