6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
TL;DR: 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile (CAS 94696-04-5) is a chemical compound with molecular formula C16H18N2S and molecular weight 270.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: BLWMKCTXGSCBID-UHFFFAOYSA-, 6-adamantanyl-2-sulfanylpyridine-3-carbonitrile, 6-(1-adamantyl)-3-cyanopyridine-2(1h)-thione, 1,2-DIHYDRO-2-THIOXO-4-PYRIDINECARBONITRILE, 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
| Molecular Formula | C16H18N2S |
|---|---|
| Molecular Weight | 270.12 g/mol |
| LogP | 4.08367 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.11908 |
| Heavy Atoms | 19 |
| Complexity | 587.0873 |
Chemical Identifiers
| CAS Number | 94696-04-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC=C(C(=S)N4)C#N |
Product Overview
6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile (CAS 94696-04-5), with molecular formula C16H18N2S and molecular weight 270.12 g/mol. IUPAC: 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
Property Insights of 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
The XLogP value of 4.08367 indicates that 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile 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 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The CAS number of 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile is 94696-04-5.
What is the molecular formula of 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The molecular formula of 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile is C16H18N2S.
What is the molecular weight of 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The molecular weight of 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile is 270.12 g/mol.
Where can I buy 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
You can request a quote for 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-adamantyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.