339023-21-1
Product Name:
3-ACETYL-4-[(4-METHYLPHENYL)SULFONYL]-2,5-DIHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE
Formula:
C13H14O5S2
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COMPUTED DESCRIPTORS
Molecular Weight | 314.4 g/mol |
---|---|
XLogP3 | 0.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Exact Mass | 314.02826589 g/mol |
Monoisotopic Mass | 314.02826589 g/mol |
Topological Polar Surface Area | 102 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 636 |
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 |