5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
TL;DR: 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile (CAS 87373-59-9) is a chemical compound with molecular formula C7H6N2S and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 2-MERCAPTO-5-METHYL-NICOTINONITRILE, 2-Mercapto-5-methylnicotinonitrile, 5-methyl-2-sulfanylpyridine-3-carbonitrile, 3-Cyano-2-mercapto-5-methylpyridine, 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
| Molecular Formula | C7H6N2S |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 1.92429 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.02516 |
| Heavy Atoms | 10 |
| Complexity | 332.19473 |
Chemical Identifiers
| CAS Number | 87373-59-9 |
|---|---|
| SMILES | CC1=CNC(=S)C(=C1)C#N |
Product Overview
5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile (CAS 87373-59-9), with molecular formula C7H6N2S and molecular weight 150.03 g/mol. IUPAC: 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
Property Insights of 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 1.92429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-sulfanylidene-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 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile is 87373-59-9.
What is the molecular formula of 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile is C7H6N2S.
What is the molecular weight of 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile is 150.03 g/mol.
Where can I buy 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 5-Methyl-2-sulfanylidene-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 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.