5-Mercapto-1H-imidazole-4-carboxamide

Base Information

• Chemical Name: 5-Mercapto-1H-imidazole-4-carboxamide
• CAS No.: 54107-75-4
• Molecular Formula: C4H5N3OS
• Molecular Weight: 143.17
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10482676
• Nikkaji Number: J1.486.033I
• Mol file: 54107-75-4.mol

Synonyms:5-MERCAPTO-1H-IMIDAZOLE-4-CARBOXAMIDE;54107-75-4;4-sulfanyl-1H-imidazole-5-carboxamide;DTXSID10482676;AKOS006340306

Chemical Property of 5-Mercapto-1H-imidazole-4-carboxamide

Chemical Property:

• Melting Point: 310 °C(Solv: ethanol (64-17-5))
• Boiling Point: 509.8±35.0 °C(Predicted)
• PKA: 13.91±0.10(Predicted)
• PSA: 110.57000
• Density: 1.551±0.06 g/cm3(Predicted)
• LogP: 0.49760
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.01533297
• Heavy Atom Count: 9
• Complexity: 129

Purity/Quality:

5-mercapto-1H-Imidazole-4-carboxamide 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C(N1)C(=O)N)S