1H-Imidazole-1-ethanethioamide

Base Information

• Chemical Name: 1H-Imidazole-1-ethanethioamide
• CAS No.: 648427-45-6
• Molecular Formula: C5H7N3S
• Molecular Weight: 141.19
• DSSTox Substance ID: DTXSID70598661
• Wikidata: Q82494437
• Mol file: 648427-45-6.mol

Synonyms:648427-45-6;1H-IMIDAZOLE-1-ETHANETHIOAMIDE;DTXSID70598661;(1H-Imidazol-1-yl)ethanethioamide;2-(1H-imidazol-1-yl)ethanethioamide;AKOS000172866;EN300-307060

Chemical Property of 1H-Imidazole-1-ethanethioamide

Chemical Property:

• PSA: 80.47000
• LogP: 0.88990
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 141.03606841
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

1H-IMIDAZOLE-1-ETHANETHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)CC(=S)N