![2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one structure](/static/products/985/98550-20-0.png)
2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one
TL;DR: 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one (CAS 98550-20-0) is a chemical compound with molecular formula C7H6N4OS2 and molecular weight 226.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-6-sulfanylidene-5H-pyrimido[5,4-d]pyrimidin-8-one
Also Known As: 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one, 2-methylsulfanyl-6-sulfanylidene-5H-pyrimido[5,4-d]pyrimidin-8-one, 6-(Methylsulfanyl)-2-sulfanylidene-2,3-dihydropyrimido[5,4-d]pyrimidin-4(1H)-one
| Molecular Formula | C7H6N4OS2 |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 1.09759 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.9983 |
| Heavy Atoms | 14 |
| Complexity | 587.9949 |
Chemical Identifiers
| CAS Number | 98550-20-0 |
|---|---|
| SMILES | CSC1=NC=C2C(=N1)C(=O)NC(=S)N2 |
Product Overview
2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one (CAS 98550-20-0), with molecular formula C7H6N4OS2 and molecular weight 226.00 g/mol. IUPAC: 2-methylsulfanyl-6-sulfanylidene-5H-pyrimido[5,4-d]pyrimidin-8-one.
Chemical Property Profile of 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one
Property Insights of 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one
The XLogP value of 1.09759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one 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 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one?
The CAS number of 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one is 98550-20-0.
What is the molecular formula of 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one?
The molecular formula of 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one is C7H6N4OS2.
What is the molecular weight of 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one?
The molecular weight of 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one is 226.00 g/mol.
Where can I buy 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one?
You can request a quote for 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.