1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1) structure

1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1)

bis(5-phenyl-1H-1,2,4-triazol-3-amine);sulfuric acid

Also Known As: 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1)|5-Phenyl-3-amino-1,2,4-triazole sulfate (2:1)|5-Phenyl-1H-1,2,4-triazol-3-amine sulfate (2:1)|5-phenyl-1h-1,2,4-triazol-3-amine sulfate(2:1)|5-phenyl-1H-1,2,4-triazol-3-amine,sulfuric acid|5-phenyl-1H-1,2,4-triazol-3-amine; sulfuric acid|Sulfuric acid--5-phenyl-1H-1,2,4-triazol-3-amine (1/2)

CAS: 4755-89-9
Molecular Formula C16H18N8O4S
Molecular Weight 418.1172 g/mol
LogP 1.455
Topological Polar Surface Area 218.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
Rotatable Bonds 2
Exact Mass 418.1172
Monoisotopic Mass 418.1172
Heavy Atoms 29
Complexity 225.0

Chemical Identifiers

CAS Number 4755-89-9
SMILES C1=CC=C(C=C1)C2=NC(=NN2)N.C1=CC=C(C=C1)C2=NC(=NN2)N.OS(=O)(=O)O
InChIKey GRMVSZWIMYLFPZ-UHFFFAOYSA-N

Product Overview

1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1) (CAS 4755-89-9), with molecular formula C16H18N8O4S and molecular weight 418.1172 g/mol. IUPAC: bis(5-phenyl-1H-1,2,4-triazol-3-amine);sulfuric acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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