1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester
TL;DR: 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester (CAS 68892-07-9) is a chemical compound with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylate
Also Known As: Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate, Methyl 1-methyl-2-sulfanyl-1H-imidazole-5-carboxylate, Maybridge4_002452, EINECS 272-595-7, BUTTPARK 52\04-76
| Molecular Formula | C6H8N2O2S |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 0.86929 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.03065 |
| Heavy Atoms | 11 |
| Complexity | 325.56842 |
Chemical Identifiers
| CAS Number | 68892-07-9 |
|---|---|
| SMILES | CN1C(=CNC1=S)C(=O)OC |
Product Overview
1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester (CAS 68892-07-9), with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol. IUPAC: methyl 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylate.
Chemical Property Profile of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester
Property Insights of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester
The XLogP value of 0.86929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester. With a topological polar surface area (TPSA) of 47.02 Ų, 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester 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-, methyl ester has 1 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 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester?
The CAS number of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester is 68892-07-9.
What is the molecular formula of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester?
The molecular formula of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester is C6H8N2O2S.
What is the molecular weight of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester?
The molecular weight of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester is 172.03 g/mol.
Where can I buy 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester?
You can request a quote for 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester 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-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.