3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid
TL;DR: 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid (CAS 99361-29-2) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid
Also Known As: 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid, 1-phenyl-2-sulfanyl-1H-imidazole-5-carboxylic acid, 3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylic Acid, 1H-Imidazole-4-carboxylicacid, 2,3-dihydro-3-phenyl-2-thioxo-, 3-Phenyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4-carboxylic acid
| Molecular Formula | C10H8N2O2S |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 2.23309 |
| Topological Polar Surface Area | 58.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03065 |
| Heavy Atoms | 15 |
| Complexity | 542.05005 |
Chemical Identifiers
| CAS Number | 99361-29-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=CNC2=S)C(=O)O |
Product Overview
3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid (CAS 99361-29-2), with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol. IUPAC: 3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid.
Chemical Property Profile of 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid
Property Insights of 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid
The XLogP value of 2.23309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid. With a topological polar surface area (TPSA) of 58.02 Ų, 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid?
The CAS number of 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid is 99361-29-2.
What is the molecular formula of 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid?
The molecular formula of 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid is C10H8N2O2S.
What is the molecular weight of 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid?
The molecular weight of 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid is 220.03 g/mol.
Where can I buy 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid?
You can request a quote for 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-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 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.