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Pyrazole-1-carboxamide, N,3,5-trimethyl-4-(3-oxobutyl)thio-, 4-methyl-3-thiosemicarbazone

Pyrazole-1-carboxamide, N,3,5-trimethyl-4-(3-oxobutyl)thio-, 4-methyl-3-thiosemicarbazone structure

CAS No:
10514-48-4
Formula:
C13H22N6S2
Chemical Name:
Pyrazole-1-carboxamide, N,3,5-trimethyl-4-(3-oxobutyl)thio-, 4-methyl-3-thiosemicarbazone
Synonyms:
3,5-dimethyl-4-[3-(4-methyl-thiosemicarbazono)-butyl]-pyrazole-1-carbothioic acid methylamide; 3,5-dimethyl-4,5-dihydro-isoxazole-5-carboxylic acid;

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Pyrazole-1-carboxamide, N,3,5-trimethyl-4-(3-oxobutyl)thio-, 4-methyl-3-thiosemicarbazone Basic Attributes

Molecular Weight：

326.48400

Exact Mass：

326.13473707

Characteristics

PSA：

130.45000

XLogP3：

2.42740

Density：

1.25g/cm3

Boiling Point：

477.6ºC

Flash Point：

242.6ºC

Refractive Index：

1.63

Vapor Pressure：

2.77E-09mmHg at 25°C

Computed Properties

Molecular Weight:326.5
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:326.13473707
Monoisotopic Mass:326.13473707
Topological Polar Surface Area:130
Heavy Atom Count:21
Complexity:412
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Pyrazole-1-carboxamide, N,3,5-trimethyl-4-(3-oxobutyl)thio-, 4-methyl-3-thiosemicarbazone

Basic Attributes
Characteristics
Computed Properties

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