5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide
TL;DR: 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide (CAS 52868-67-4) is a chemical compound with molecular formula C5H8N4OS and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-methyl-2-sulfanylidene-1H-imidazole-5-carboxamide
Also Known As: 5-Amino-2-mercapto-1-methyl-1H-imidazole-4-carboxamide, NCI60_023679, 4-amino-3-methyl-2-sulfanylidene-1H-imidazole-5-carboxamide, 5-Amino-1-methyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxamide, 4-amino-3-methyl-2-thioxo-1H-imidazole-5-carboxamide
| Molecular Formula | C5H8N4OS |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | -0.23621 |
| Topological Polar Surface Area | 89.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.04189 |
| Heavy Atoms | 11 |
| Complexity | 349.85464 |
Chemical Identifiers
| CAS Number | 52868-67-4 |
|---|---|
| SMILES | CN1C(=C(NC1=S)C(=O)N)N |
Product Overview
5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide (CAS 52868-67-4), with molecular formula C5H8N4OS and molecular weight 172.04 g/mol. IUPAC: 4-amino-3-methyl-2-sulfanylidene-1H-imidazole-5-carboxamide.
Chemical Property Profile of 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide
Property Insights of 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide
The XLogP value of -0.23621 indicates that 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide. Following Lipinski's Rule of Five, 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide 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
Frequently Asked Questions
What is the CAS number of 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide?
The CAS number of 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide is 52868-67-4.
What is the molecular formula of 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide?
The molecular formula of 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide is C5H8N4OS.
What is the molecular weight of 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide?
The molecular weight of 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide is 172.04 g/mol.
Where can I buy 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide?
You can request a quote for 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-Mercapto-1-Methyl-1H-Imidazole-4-Carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.