6-(Phenylthio)nicotinonitrile
TL;DR: 6-(Phenylthio)nicotinonitrile (CAS 259683-21-1) is a chemical compound with molecular formula C12H8N2S and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenylsulfanylpyridine-3-carbonitrile
Also Known As: 6-(PHENYLTHIO)NICOTINONITRILE, Maybridge3_006380, 2-(Phenylthio)pyridine-5-carbonitrile, 3-Pyridinecarbonitrile, 6-(phenylthio)-, 6-phenylsulfanylpyridine-3-carbonitrile
| Molecular Formula | C12H8N2S |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 3.10448 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.04082 |
| Heavy Atoms | 15 |
| Complexity | 471.22534 |
Chemical Identifiers
| CAS Number | 259683-21-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=NC=C(C=C2)C#N |
Product Overview
6-(Phenylthio)nicotinonitrile (CAS 259683-21-1), with molecular formula C12H8N2S and molecular weight 212.04 g/mol. IUPAC: 6-phenylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 6-(Phenylthio)nicotinonitrile
Property Insights of 6-(Phenylthio)nicotinonitrile
The XLogP value of 3.10448 indicates that 6-(Phenylthio)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 6-(Phenylthio)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Phenylthio)nicotinonitrile has 0 hydrogen bond donor(s) and 3 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 6-(Phenylthio)nicotinonitrile?
The CAS number of 6-(Phenylthio)nicotinonitrile is 259683-21-1.
What is the molecular formula of 6-(Phenylthio)nicotinonitrile?
The molecular formula of 6-(Phenylthio)nicotinonitrile is C12H8N2S.
What is the molecular weight of 6-(Phenylthio)nicotinonitrile?
The molecular weight of 6-(Phenylthio)nicotinonitrile is 212.04 g/mol.
Where can I buy 6-(Phenylthio)nicotinonitrile?
You can request a quote for 6-(Phenylthio)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Phenylthio)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(Phenylthio)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.