1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-
TL;DR: 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo- (CAS 64038-60-4) is a chemical compound with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid
Also Known As: EINECS 264-617-9, 2,3-Dihydro-3-methyl-2-thioxo-1H-imidazole-4-carboxylic acid, 2-Mercapto-1-methyl-1H-imidazole-5-carboxylic acid, 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, 1-Methyl-2-mercapto-5-imidazole carboxylic acid
| Molecular Formula | C5H6N2O2S |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | 0.78089 |
| Topological Polar Surface Area | 58.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.015 |
| Heavy Atoms | 10 |
| Complexity | 311.693 |
Chemical Identifiers
| CAS Number | 64038-60-4 |
|---|---|
| SMILES | CN1C(=CNC1=S)C(=O)O |
Product Overview
1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo- (CAS 64038-60-4), with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol. IUPAC: 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid.
Chemical Property Profile of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-
Property Insights of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-
The XLogP value of 0.78089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-. With a topological polar surface area (TPSA) of 58.02 Ų, 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo- 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 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-?
The CAS number of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo- is 64038-60-4.
What is the molecular formula of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-?
The molecular formula of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo- is C5H6N2O2S.
What is the molecular weight of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-?
The molecular weight of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo- is 158.01 g/mol.
Where can I buy 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-?
You can request a quote for 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.