5-Amino-1-methylimidazole-4-carbothioamide
TL;DR: 5-Amino-1-methylimidazole-4-carbothioamide (CAS 117879-27-3) is a chemical compound with molecular formula C5H8N4S and molecular weight 156.04697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1-methylimidazole-4-carbothioamide
Also Known As: 5-amino-1-methylimidazole-4-carbothioamide, 5-amino-1-methylimidazole-4-thiocarboxamide, J1.258.628K, 1-Methyl-5-amino-1H-imidazole-4-carbothioamide, 5-amino-1-methyl-1H-imidazole-4-carbothioamide
Technical Specifications
| Molecular Formula | C5H8N4S |
| Molecular Weight | 156.04697 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.04697 Da |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
| SMILES | CN1C=NC(=C1N)C(=S)N |
| InChIKey | MMWINBGFMKOGFJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Amino-1-methylimidazole-4-carbothioamide
Property Insights of 5-Amino-1-methylimidazole-4-carbothioamide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1-methylimidazole-4-carbothioamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1-methylimidazole-4-carbothioamide. Following Lipinski's Rule of Five, 5-Amino-1-methylimidazole-4-carbothioamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Amino-1-methylimidazole-4-carbothioamide?
The CAS number of 5-Amino-1-methylimidazole-4-carbothioamide is 117879-27-3.
What is the molecular formula of 5-Amino-1-methylimidazole-4-carbothioamide?
The molecular formula of 5-Amino-1-methylimidazole-4-carbothioamide is C5H8N4S.
What is the molecular weight of 5-Amino-1-methylimidazole-4-carbothioamide?
The molecular weight of 5-Amino-1-methylimidazole-4-carbothioamide is 156.04697 g/mol.
Where can I buy 5-Amino-1-methylimidazole-4-carbothioamide?
You can request a quote for 5-Amino-1-methylimidazole-4-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Amino-1-methylimidazole-4-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 5-Amino-1-methylimidazole-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.