6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid
TL;DR: 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid (CAS 7153-53-9) is a chemical compound with molecular formula C5H6N2O3S and molecular weight 174.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid
Also Known As: 6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid, 6-oxo-2-thioxohexahydro-4-pyrimidinecarboxylic acid
| Molecular Formula | C5H6N2O3S |
|---|---|
| Molecular Weight | 174.01 g/mol |
| LogP | -1.166 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.00992 |
| Heavy Atoms | 11 |
| Complexity | 211.76743 |
Chemical Identifiers
| CAS Number | 7153-53-9 |
|---|---|
| SMILES | C1C(NC(=S)NC1=O)C(=O)O |
Product Overview
6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid (CAS 7153-53-9), with molecular formula C5H6N2O3S and molecular weight 174.01 g/mol. IUPAC: 6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid.
Chemical Property Profile of 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid
Property Insights of 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid
The XLogP value of -1.166 indicates that 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid. Following Lipinski's Rule of Five, 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid has 3 hydrogen bond donor(s) and 3 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-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid?
The CAS number of 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid is 7153-53-9.
What is the molecular formula of 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid?
The molecular formula of 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid is C5H6N2O3S.
What is the molecular weight of 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid?
The molecular weight of 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid is 174.01 g/mol.
Where can I buy 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid?
You can request a quote for 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.