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

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

CAS No:
87236-33-7
Formula:
C14H16BrN5OS
Chemical Name:
1,5-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpyrazol-3-one,hydrobromide
Synonyms:
Antipyrine,4-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-,hydrobromide; 3H-Pyrazol-3-one,1,2-dihydro-1,5-dimethyl-4-((5-methyl-1H-1,2,4-triazol-3-yl)thio)-2-phenyl-,monohydrobromide; 1,5-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpyrazol-3-one hydrobromide; 4-((5-Methyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide;

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

Molecular Weight：

382.27900

Exact Mass：

381.02589

DSSTox ID：

DTXSID60236222

Characteristics

PSA：

93.80000

XLogP3：

3.02020

Boiling Point：

493.9ºC

Flash Point：

252.5ºC

Computed Properties

Molecular Weight:382.28
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:381.02589
Monoisotopic Mass:381.02589
Topological Polar Surface Area:90.4
Heavy Atom Count:22
Complexity:449
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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