![1-[(Phenylthio)methyl]pyridinium structure](/static/products/7188/71880-02-9.webp)
1-[(Phenylthio)methyl]pyridinium
TL;DR: 1-[(Phenylthio)methyl]pyridinium (CAS 71880-02-9) is a chemical compound with molecular formula C12H12NS+ and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(phenylsulfanylmethyl)pyridin-1-ium
Also Known As: 1-[(Phenylthio)methyl]pyridinium, 1-((Phenylthio)methyl)pyridinium, 1-(Phenylthiomethyl)pyridinium, 1-(phenylsulfanylmethyl)pyridin-1-ium, 1-[(PHENYLSULFANYL)METHYL]PYRIDIN-1-IUM
| Molecular Formula | C12H12NS+ |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.06905 |
| Heavy Atoms | 14 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 71880-02-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC[N+]2=CC=CC=C2 |
| InChIKey | LHMRTNGWGSTIGK-UHFFFAOYSA-N |
Product Overview
1-[(Phenylthio)methyl]pyridinium (CAS 71880-02-9), with molecular formula C12H12NS+ and molecular weight 202.07 g/mol. IUPAC: 1-(phenylsulfanylmethyl)pyridin-1-ium.
Chemical Property Profile of 1-[(Phenylthio)methyl]pyridinium
Property Insights of 1-[(Phenylthio)methyl]pyridinium
The XLogP value of 3.2 indicates that 1-[(Phenylthio)methyl]pyridinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.2 Ų, 1-[(Phenylthio)methyl]pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(Phenylthio)methyl]pyridinium has 0 hydrogen bond donor(s) and 1 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-[(Phenylthio)methyl]pyridinium?
The CAS number of 1-[(Phenylthio)methyl]pyridinium is 71880-02-9.
What is the molecular formula of 1-[(Phenylthio)methyl]pyridinium?
The molecular formula of 1-[(Phenylthio)methyl]pyridinium is C12H12NS+.
What is the molecular weight of 1-[(Phenylthio)methyl]pyridinium?
The molecular weight of 1-[(Phenylthio)methyl]pyridinium is 202.07 g/mol.
Where can I buy 1-[(Phenylthio)methyl]pyridinium?
You can request a quote for 1-[(Phenylthio)methyl]pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Phenylthio)methyl]pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Phenylthio)methyl]pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.