methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate
TL;DR: methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate (CAS 91026-76-5) is a chemical compound with molecular formula C6H8N4O2S and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-4-carbamothioylimidazole-1-carboxylate
Also Known As: methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate, methyl 5-amino-4-carbamothioylimidazole-1-carboxylate, AF-407/34872024, 1H-Imidazole-1-carboxylicacid,5-amino-4- -,methylester, methyl 5-amino-4-(aminocarbothioyl)-1H-imidazole-1-carboxylate
| Molecular Formula | C6H8N4O2S |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | -0.286 |
| Topological Polar Surface Area | 96.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.0368 |
| Heavy Atoms | 13 |
| Complexity | 359.51627 |
Chemical Identifiers
| CAS Number | 91026-76-5 |
|---|---|
| SMILES | COC(=O)N1C=NC(=C1N)C(=S)N |
Product Overview
methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate (CAS 91026-76-5), with molecular formula C6H8N4O2S and molecular weight 200.04 g/mol. IUPAC: methyl 5-amino-4-carbamothioylimidazole-1-carboxylate.
Chemical Property Profile of methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate
Property Insights of methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate
The XLogP value of -0.286 indicates that methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.16 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate has 2 hydrogen bond donor(s) and 5 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 methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate?
The CAS number of methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate is 91026-76-5.
What is the molecular formula of methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate?
The molecular formula of methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate is C6H8N4O2S.
What is the molecular weight of methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate?
The molecular weight of methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate is 200.04 g/mol.
Where can I buy methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate?
You can request a quote for methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-4-carbamothioyl-1H-imidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.