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Home> Hot Product Listed 2   > 2-(BICYCLO(2.2.1)HEPT-2-YLIDENEMETHYL)-1-METHYL-5-NITRO-1H-IMIDAZOLE
61019-27-0 structure

2-(BICYCLO(2.2.1)HEPT-2-YLIDENEMETHYL)-1-METHYL-5-NITRO-1H-IMIDAZOLE

Iupac Name:4-amino-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CAS No.:61019-27-0
Molecular Weight:198.262
Molecular Formula:C2H16CL3CON10O12 (isomer)
Names and Identifiers
Synonyms

1H-Imidazole, 2-(bicyclo(2.2.1)hept-2-ylidenemethyl)-1-methyl-5-nitro- 2-[(E)-3-bicyclo[2.2.1]heptanylidenemethyl]-1-methyl-5-nitroimidazole AC1O5T1X LS-78072

Inchi
InChI=1S/C6H6N4S2/c7-10-5(8-9-6(10)11)4-2-1-3-12-4/h1-3H,7H2,(H,9,11)
InChkey
KLQXTJFVYRRYOC-UHFFFAOYSA-N
Canonical Smiles
C1=CSC(=C1)C2=NNC(=S)N2N
Properties
Density
1.451
Boiling Point
505°C at 760 mmHg
Refractive Index
1.899
Flash Point
202.4°C
Safety and Handling
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:198.262g/mol
  • Molecular Formula:C2H16CL3CON10O12
  • Compound Is Canonicalized:True
  • Exact Mass:198.003
  • Monoisotopic Mass:198.003
  • Complexity:240
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:114A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjgABgAAAAAAAAAAAAAAAAASIAAAAAAAAAAAAAAAABgAAAHAQYAAAACACFUACxAYJiAAik ACJiIACTAIAgCBldqBggBJiIIKKgkRGEAAhwiAIoiAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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