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3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazol-4-amine

3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazol-4-amine structure

CAS No:
152562-58-8
Formula:
C16H14N6S
Chemical Name:
3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazol-4-amine
Synonyms:
NSC666370;3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine;MLS000558017;CHEMBL1488366;HMS2422D08;ZINC523641;STL338919;3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazol-4-amine;AKOS022133426;MCULE-7740051708;NSC-666370;SMR000148733;3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-ylamine;3-(1H-Benzoimidazol-2-ylmethylsulfanyl)-5-phenyl-[1,2,4]triazol-4-ylamine;3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine;3-[[(1H-Benzimidazol-2-yl)methyl]thio]-5-phenyl-4H-1,2,4-triazol-4-amine;152562-58-8

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3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazol-4-amine Basic Attributes

Molecular Weight：

322.4 g/mol

Exact Mass：

322.10006565 g/mol

NSC Number：

666370

Characteristics

PSA：

111 Å²

XLogP3：

3.4087

Melting Point：

178 - 179 °C (ethanol)

Computed Properties

Molecular Weight:322.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:322.10006565
Monoisotopic Mass:322.10006565
Topological Polar Surface Area:111
Heavy Atom Count:23
Complexity:391
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazol-4-amine

Basic Attributes
Characteristics
Computed Properties

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