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36289-42-6

36289-42-6 structural image
Product Name: ETHYL N-(3-THIOXO-3H-1,2,4-DITHIAZOL-5-YL)CARBAMATE
Formula: C5H6N2O2S3
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COMPUTED DESCRIPTORS

Molecular Weight 222.3 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 221.95914096 g/mol
Monoisotopic Mass 221.95914096 g/mol
Topological Polar Surface Area 133 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 241
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