2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile
TL;DR: 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile (CAS 111971-58-5) is a chemical compound with molecular formula C6H6N4S2 and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-methylsulfanyl-6-sulfanylidene-1H-pyrimidine-5-carbonitrile
Also Known As: J1.382.042B, 2-amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile, 2-Amino-4-mercapto-6-methylsulfanyl-pyrimidine-5-carbonitrile, AM-807/25050021, 2-amino-4-methylthio-5-cyano-6(1h)-pyrimidinethione
| Molecular Formula | C6H6N4S2 |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 1.31497 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.00339 |
| Heavy Atoms | 12 |
| Complexity | 389.51505 |
Chemical Identifiers
| CAS Number | 111971-58-5 |
|---|---|
| SMILES | CSC1=C(C(=S)NC(=N1)N)C#N |
Product Overview
2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile (CAS 111971-58-5), with molecular formula C6H6N4S2 and molecular weight 198.00 g/mol. IUPAC: 2-amino-4-methylsulfanyl-6-sulfanylidene-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile
Property Insights of 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile
The XLogP value of 1.31497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile has 2 hydrogen bond donor(s) and 5 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 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile?
The CAS number of 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile is 111971-58-5.
What is the molecular formula of 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile?
The molecular formula of 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile is C6H6N4S2.
What is the molecular weight of 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile?
The molecular weight of 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile is 198.00 g/mol.
Where can I buy 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile?
You can request a quote for 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(methylsulfanyl)-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.