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4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenylpyrazol-3-one,hydrobromide

4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenylpyrazol-3-one,hydrobromide structure

CAS No:
87236-34-8
Formula:
C20H20BrN5OS
Chemical Name:
4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenylpyrazol-3-one,hydrobromide
Synonyms:
Antipyrine,4-((5-benzyl-4H-1,2,4-triazol-3-yl)thio)-,hydrobromide; 3H-Pyrazol-3-one,1,2-dihydro-1,5-dimethyl-2-phenyl-4-((5-(phenylmethyl)-1H-1,2,4-triazol-3-yl)thio)-,monohydrobromide; 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide; 4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenylpyrazol-3-one hydrobromide;

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4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenylpyrazol-3-one,hydrobromide Basic Attributes

Molecular Weight：

458.37500

Exact Mass：

457.05719

DSSTox ID：

DTXSID20236223

Characteristics

PSA：

93.80000

XLogP3：

4.30260

Boiling Point：

585ºC

Flash Point：

307.6ºC

Computed Properties

Molecular Weight:458.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:457.05719
Monoisotopic Mass:457.05719
Topological Polar Surface Area:90.4
Heavy Atom Count:28
Complexity:571
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenylpyrazol-3-one,hydrobromide

Basic Attributes
Characteristics
Computed Properties

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