6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid
TL;DR: 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid (CAS 155782-52-8) is a chemical compound with molecular formula C6H10N2O2S and molecular weight 174.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid
Also Known As: 6-methyl-2-sulfanylidene-1,3-diazinane-4-carboxylic Acid, 6-methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid, (4S,6R)-6-METHYL-2-THIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, rac-(4S,6R)-6-methyl-2-thioxohexahydropyrimidine-4-carboxylic acid
Technical Specifications
| Molecular Formula | C6H10N2O2S |
| Molecular Weight | 174.0463 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.0463 Da |
| Heavy Atoms | 11 |
| Complexity | 195.0 |
| SMILES | CC1CC(NC(=S)N1)C(=O)O |
| InChIKey | GCRRQALGTLXDHL-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid
Property Insights of 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 6-Methyl-2-thioxo-hexahydropyrimidine-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
What is the CAS number of 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid?
The CAS number of 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid is 155782-52-8.
What is the molecular formula of 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid?
The molecular formula of 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid is C6H10N2O2S.
What is the molecular weight of 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid?
The molecular weight of 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid is 174.0463 g/mol.
Where can I buy 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid?
You can request a quote for 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 6-Methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.