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353254-78-1

353254-78-1 structural image
Product Name: 5-(4-TERT-BUTYLBENZYLTHIO)-2-(3-CHLOROBENZYLTHIO)-1,3,4-THIADIAZOLE
Formula: C20H21ClN2S3
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COMPUTED DESCRIPTORS

Molecular Weight 421.0 g/mol
XLogP3 7.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 420.0555399 g/mol
Monoisotopic Mass 420.0555399 g/mol
Topological Polar Surface Area 105 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 424
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