5. Computational chemical data
- Molecular Weight:310.18g/mol
- Molecular Formula:C10H14O2S2
- Compound Is Canonicalized:True
- XLogP3-AA:
- Exact Mass:309.7946135
- Monoisotopic Mass:309.7946135
- Complexity:36.8
- Rotatable Bond Count:0
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:8
- Topological Polar Surface Area:173
- Heavy Atom Count:13
- Defined Atom Stereocenter Count:0
- Undefined Atom Stereocenter Count:0
- Defined Bond Stereocenter Count:0
- Undefined Bond Stereocenter Count:0
- Isotope Atom Count:0
- Covalently-Bonded Unit Count:5
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