4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile
TL;DR: 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile (CAS 54356-41-1) is a chemical compound with molecular formula C6H5N3O2S and molecular weight 183.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
Also Known As: Maybridge4_004440, RFZRJMXJZJNJGA-UHFFFAOYSA-, 6-methylthiouracil-5-carbonitrile, 2,4-diketo-6-(methylthio)-1H-pyrimidine-5-carbonitrile, 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile
| Molecular Formula | C6H5N3O2S |
|---|---|
| Molecular Weight | 183.01 g/mol |
| LogP | -0.34322 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.01025 |
| Heavy Atoms | 12 |
| Complexity | 439.33203 |
Chemical Identifiers
| CAS Number | 54356-41-1 |
|---|---|
| SMILES | CSC1=C(C(=O)NC(=O)N1)C#N |
Product Overview
4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile (CAS 54356-41-1), with molecular formula C6H5N3O2S and molecular weight 183.01 g/mol. IUPAC: 6-methylsulfanyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile
Property Insights of 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile
The XLogP value of -0.34322 indicates that 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile has 2 hydrogen bond donor(s) and 4 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 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile?
The CAS number of 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile is 54356-41-1.
What is the molecular formula of 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile?
The molecular formula of 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile is C6H5N3O2S.
What is the molecular weight of 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile?
The molecular weight of 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile is 183.01 g/mol.
Where can I buy 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile?
You can request a quote for 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-methylsulfanyl-2,6-dioxo-3H-pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.