2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid
TL;DR: 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid (CAS 5398-77-6) 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.
2-amino-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxylic acid
Also Known As: 2-imino-4-oxo-1,3-thiazinane-6-carboxylic acid, ChemDiv2_001689, 4-methylsulfonylbenzaldehyde, 2-Imino-4-oxo-[1,3]thiazinane-6-carboxylic acid, CHEMBRDG-BB 6368072
| Molecular Formula | C5H6N2O3S |
|---|---|
| Molecular Weight | 174.01 g/mol |
| LogP | -0.5822 |
| Topological Polar Surface Area | 92.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.00992 |
| Heavy Atoms | 11 |
| Complexity | 237.88203 |
Chemical Identifiers
| CAS Number | 5398-77-6 |
|---|---|
| SMILES | C1C(SC(=NC1=O)N)C(=O)O |
Product Overview
2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid (CAS 5398-77-6), with molecular formula C5H6N2O3S and molecular weight 174.01 g/mol. IUPAC: 2-amino-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxylic acid.
Chemical Property Profile of 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid
Property Insights of 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid
The XLogP value of -0.5822 indicates that 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid. Following Lipinski's Rule of Five, 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid 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 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid?
The CAS number of 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid is 5398-77-6.
What is the molecular formula of 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid?
The molecular formula of 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid is C5H6N2O3S.
What is the molecular weight of 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid?
The molecular weight of 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid is 174.01 g/mol.
Where can I buy 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid?
You can request a quote for 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.