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5657-26-1

5657-26-1 structural image
Product Name: PTH-EPSILON-PHENYLTHIOCARBAMYL-DL-LYSINE
Formula: C20H22N4OS2
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 398.5 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 7
Exact Mass 398.12350369 g/mol
Monoisotopic Mass 398.12350369 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 530
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes