85109-44-0
Product Name:
3-ISOTHIOCYANATO-TETRAHYDRO-THIOPHENE 1,1-DIOXIDE
Formula:
C5H7NO2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 177.2 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 176.99182081 g/mol |
| Monoisotopic Mass | 176.99182081 g/mol |
| Topological Polar Surface Area | 87 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 258 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |