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7152-80-9

7152-80-9 structural image
Product Name: 4-(DIMETHYLAMINO)PHENYL THIOCYANATE
Formula: C9H10N2S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 4.2 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 178.26 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 178.05646950 g/mol
Monoisotopic Mass 178.05646950 g/mol
Topological Polar Surface Area 52.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 174
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