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40753-14-8

40753-14-8 structural image
Product Name: 4-(4-METHYLPHENYL)-1,2,3-THIADIAZOLE
Formula: C9H8N2S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility <0.2 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 176.24 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 176.04081944 g/mol
Monoisotopic Mass 176.04081944 g/mol
Topological Polar Surface Area 54 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 144
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