6-amino-2-mercapto-4-methylnicotinonitrile
TL;DR: 6-amino-2-mercapto-4-methylnicotinonitrile (CAS 51561-25-2) is a chemical compound with molecular formula C7H7N3S and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 6-amino-2-mercapto-4-methylnicotinonitrile, J1.170.168J, 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 6-amino-1,2-dihydro-4-methyl-2-thioxo-, Pyridine-3-carbonitrile, 1,2-dihydro-6-amino-4-methyl-2-thioxo-
| Molecular Formula | C7H7N3S |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.50649 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.03607 |
| Heavy Atoms | 11 |
| Complexity | 372.25256 |
Chemical Identifiers
| CAS Number | 51561-25-2 |
|---|---|
| SMILES | CC1=C(C(=S)NC(=C1)N)C#N |
Product Overview
6-amino-2-mercapto-4-methylnicotinonitrile (CAS 51561-25-2), with molecular formula C7H7N3S and molecular weight 165.04 g/mol. IUPAC: 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-amino-2-mercapto-4-methylnicotinonitrile
Property Insights of 6-amino-2-mercapto-4-methylnicotinonitrile
The XLogP value of 1.50649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-2-mercapto-4-methylnicotinonitrile. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-2-mercapto-4-methylnicotinonitrile. Following Lipinski's Rule of Five, 6-amino-2-mercapto-4-methylnicotinonitrile has 2 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-amino-2-mercapto-4-methylnicotinonitrile?
The CAS number of 6-amino-2-mercapto-4-methylnicotinonitrile is 51561-25-2.
What is the molecular formula of 6-amino-2-mercapto-4-methylnicotinonitrile?
The molecular formula of 6-amino-2-mercapto-4-methylnicotinonitrile is C7H7N3S.
What is the molecular weight of 6-amino-2-mercapto-4-methylnicotinonitrile?
The molecular weight of 6-amino-2-mercapto-4-methylnicotinonitrile is 165.04 g/mol.
Where can I buy 6-amino-2-mercapto-4-methylnicotinonitrile?
You can request a quote for 6-amino-2-mercapto-4-methylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-2-mercapto-4-methylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-2-mercapto-4-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.