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218795-74-5

218795-74-5 structural image
Product Name: N1-(tert-butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide
Formula: C12H17N3O2S
Synonyms: 2-[(2,4-Dihydroxyphenyl)methylene]-N-(1,1-dimethylethyl)-hydrazinecarbothioamide;Intramimic-01;N1-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)
GHS07
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 267.35 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 267.10414797 g/mol
Monoisotopic Mass 267.10414797 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 315
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes