1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt

Base Information

• Chemical Name: 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt
• CAS No.: 115906-67-7
• Molecular Formula: C16H20 N4 O5 S . H3 N
• Molecular Weight: 397.4493
• DSSTox Substance ID: DTXSID60151224

Synonyms:1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt;2-Methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-1H-imidazole-5-thiol ammonia salt;115906-67-7;C16H20N4O5S.H3N;DTXSID60151224;C16-H20-N4-O5-S.H3-N;LS-78925

Chemical Property of 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt

Chemical Property:

• Vapor Pressure: 3.46E-13mmHg at 25°C
• Boiling Point: 588°C at 760 mmHg
• Flash Point: 309.4°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 397.14199002
• Heavy Atom Count: 27
• Complexity: 486

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2[S-])[N+](=O)[O-])C)[N+](=O)[O-].[NH4+]

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