Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate
TL;DR: Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate (CAS 6339-80-6) is a chemical compound with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylate
Also Known As: methyl 4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylate, methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate, methyl 6-oxo-2-sulfanyl-1,6-dihydropyrimidine-4-carboxylate
| Molecular Formula | C6H6N2O3S |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 0.21909 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.00992 |
| Heavy Atoms | 12 |
| Complexity | 377.4945 |
Chemical Identifiers
| CAS Number | 6339-80-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)NC(=S)N1 |
Product Overview
Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate (CAS 6339-80-6), with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol. IUPAC: methyl 4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylate.
Chemical Property Profile of Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Property Insights of Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate
The XLogP value of 0.21909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate 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 Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
The CAS number of Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate is 6339-80-6.
What is the molecular formula of Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
The molecular formula of Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate is C6H6N2O3S.
What is the molecular weight of Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
The molecular weight of Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate is 186.01 g/mol.
Where can I buy Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
You can request a quote for Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.