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13431-41-9

13431-41-9 structural image
Product Name: 4-BENZYL-3-THIOSEMICARBAZIDE
Formula: C8H11N3S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 13.1 [ug/mL] (The mean of the results at pH 7.4)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P330:Rinse mouth.

COMPUTED DESCRIPTORS

Molecular Weight 181.26 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 181.06736854 g/mol
Monoisotopic Mass 181.06736854 g/mol
Topological Polar Surface Area 82.2 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 143
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes