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929962-95-8

929962-95-8 structural image
Product Name: 3,5-bis(methylthio)-7,8,9,10-tetrahydrobenzo[4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Formula: C13H14N4S3
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COMPUTED DESCRIPTORS

Molecular Weight 322.5 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 322.03805998 g/mol
Monoisotopic Mass 322.03805998 g/mol
Topological Polar Surface Area 122 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 372
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