(E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 327168-41-2) is a chemical compound with molecular formula C11H12N2S and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-5-[(E)-prop-1-enyl]-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile, 4,6-dimethyl-5-[(E)-prop-1-enyl]-2-sulfanylidene-1H-pyridine-3-carbonitrile
| Molecular Formula | C11H12N2S |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 3.26581 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07211 |
| Heavy Atoms | 14 |
| Complexity | 475.2865 |
Chemical Identifiers
| CAS Number | 327168-41-2 |
|---|---|
| SMILES | C/C=C/C1=C(NC(=S)C(=C1C)C#N)C |
Product Overview
(E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 327168-41-2), with molecular formula C11H12N2S and molecular weight 204.07 g/mol. IUPAC: 4,6-dimethyl-5-[(E)-prop-1-enyl]-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 3.26581 indicates that (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-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, (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-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 (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 327168-41-2.
What is the molecular formula of (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is C11H12N2S.
What is the molecular weight of (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 204.07 g/mol.
Where can I buy (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-4,6-dimethyl-5-(prop-1-en-1-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.