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3,4-bis(carbamothioylhydrazinylidene)butan-2-ylbutanoate

3,4-bis(carbamothioylhydrazinylidene)butan-2-ylbutanoate structure

CAS No:
2407-55-8
Formula:
C10H18N6O2S2
Chemical Name:
3,4-bis(carbamothioylhydrazinylidene)butan-2-ylbutanoate
Synonyms:
UNII-ZI0M8S4A2J;ZI0M8S4A2J;BUTYRYLOXYETHYLGLYOXAL DITHIOSEMICARBAZONE;CTK4F2872;DTXSID60946910;Butanoic acid, 2,3-bis((aminothioxomethyl)hydrazono)-1-methylpropyl ester (9CI);alpha-Butyryloxyethylglyoxal dithiosemicarbazone;3-butyryloxy-2-oxobutyraldehyde bis(thiosemicarbazone);2,2"-[3-(Butanoyloxy)butane-1,2-diylidene]di(hydrazine-1-carboximidothioic acid);Butanoic acid,2,3-bis[(aminothioxomethyl)hydrazono]-1-methylpropyl ester (9CI)

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3,4-bis(carbamothioylhydrazinylidene)butan-2-ylbutanoate Basic Attributes

Molecular Weight：

318.414

Exact Mass：

318.093

Characteristics

PSA：

191

XLogP3：

0.4

Density：

1.41±0.1 g/cm3(Predicted)

Melting Point：

191 °C (decomp)

Computed Properties

Molecular Weight:318.4
XLogP3:0.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:318.09326619
Monoisotopic Mass:318.09326619
Topological Polar Surface Area:191
Heavy Atom Count:20
Complexity:424
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-bis(carbamothioylhydrazinylidene)butan-2-ylbutanoate

Basic Attributes
Characteristics
Computed Properties

3,4-bis(carbamothioylhydrazinylidene)butan-2-ylbutanoate

SDS

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