5-Methyl-1H-imidazole-4-carbodithioic acid
TL;DR: 5-Methyl-1H-imidazole-4-carbodithioic acid (CAS 84255-40-3) is a chemical compound with molecular formula C5H6N2S2 and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1H-imidazole-4-carbodithioic acid
Also Known As: 5-Methyl-1H-imidazole-4-carbodithioic acid, EINECS 282-589-6, 4-methylimidazole-5-dithiocarboxylic acid, 4-methyl-1H-imidazole-5-carbodithioic acid, 4-Methyl-1H-imidazole-5-dithiocarboxylic acid
| Molecular Formula | C5H6N2S2 |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 1.32342 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.99724 |
| Heavy Atoms | 9 |
| Complexity | 228.61679 |
Chemical Identifiers
| CAS Number | 84255-40-3 |
|---|---|
| SMILES | CC1=C(N=CN1)C(=S)S |
Product Overview
5-Methyl-1H-imidazole-4-carbodithioic acid (CAS 84255-40-3), with molecular formula C5H6N2S2 and molecular weight 158.00 g/mol. IUPAC: 5-methyl-1H-imidazole-4-carbodithioic acid.
Chemical Property Profile of 5-Methyl-1H-imidazole-4-carbodithioic acid
Property Insights of 5-Methyl-1H-imidazole-4-carbodithioic acid
The XLogP value of 1.32342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1H-imidazole-4-carbodithioic acid. With a topological polar surface area (TPSA) of 28.68 Ų, 5-Methyl-1H-imidazole-4-carbodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1H-imidazole-4-carbodithioic 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 5-Methyl-1H-imidazole-4-carbodithioic acid?
The CAS number of 5-Methyl-1H-imidazole-4-carbodithioic acid is 84255-40-3.
What is the molecular formula of 5-Methyl-1H-imidazole-4-carbodithioic acid?
The molecular formula of 5-Methyl-1H-imidazole-4-carbodithioic acid is C5H6N2S2.
What is the molecular weight of 5-Methyl-1H-imidazole-4-carbodithioic acid?
The molecular weight of 5-Methyl-1H-imidazole-4-carbodithioic acid is 158.00 g/mol.
Where can I buy 5-Methyl-1H-imidazole-4-carbodithioic acid?
You can request a quote for 5-Methyl-1H-imidazole-4-carbodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1H-imidazole-4-carbodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1H-imidazole-4-carbodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.