4H-1,2,4-Triazole, 4-methyl-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-


Chemical Name: 4H-1,2,4-Triazole, 4-methyl-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
CAS Number: 177653-76-8
Product Number: AG0025FA(AGN-PC-0JQHL1)
Synonyms:
MDL No:
Molecular Formula: C7H8N6O2S
Molecular Weight: 240.2424

Identification/Properties


Computed Properties
Molecular Weight:
240.241g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
240.043g/mol
Monoisotopic Mass:
240.043g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
274
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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