6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile
TL;DR: 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile (CAS 100890-43-5) is a chemical compound with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile
Also Known As: 3-phenyl-5-cyano-6-methylthiopyrimidine-2,4-dione, J1.147.819K, 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile, AN-647/15324001, 3-Phenyl-5-cyano-6-methylthiopyrimidine-2,4(1H)-dione
| Molecular Formula | C12H9N3O2S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 1.11938 |
| Topological Polar Surface Area | 78.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.04153 |
| Heavy Atoms | 18 |
| Complexity | 725.7133 |
Chemical Identifiers
| CAS Number | 100890-43-5 |
|---|---|
| SMILES | CSC1=C(C(=O)N(C(=O)N1)C2=CC=CC=C2)C#N |
Product Overview
6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile (CAS 100890-43-5), with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol. IUPAC: 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile
Property Insights of 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile
The XLogP value of 1.11938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile. The TPSA of 78.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile has 1 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 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile?
The CAS number of 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile is 100890-43-5.
What is the molecular formula of 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile?
The molecular formula of 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile is C12H9N3O2S.
What is the molecular weight of 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile?
The molecular weight of 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile is 259.04 g/mol.
Where can I buy 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile?
You can request a quote for 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-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 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-methylsulfanyl-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.