5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one

Base Information

• Chemical Name: 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
• CAS No.: 75371-25-4
• Molecular Formula: C₄H₆N₄OS
• Molecular Weight: 158.184
• DSSTox Substance ID: DTXSID70378142
• Mol file: 75371-25-4.mol

Synonyms:5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one;75371-25-4;Imidazo[4,5-d]imidazol-2(1H)-one, hexahydro-5-thioxo-;5-sulfanylidene-1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazol-2-one;SCHEMBL21190364;DTXSID70378142;BBL028713;STK727064;AKOS005520855;VS-08921;CS-0360859;5-thioxo-perhydroimidazo[4,5-d]imidazole-2-one;5-sulfanylidene-octahydro-[1,3]diazolo[4,5-d]imidazol-2-one

Chemical Property of 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one

Chemical Property:

• Melting Point: 300 °C
• PSA: 107.81000
• Density: 1.71±0.1 g/cm3(Predicted)
• LogP: -1.42640
• XLogP3: -1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 158.02623200
• Heavy Atom Count: 10
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12C(NC(=O)N1)NC(=S)N2