1210827-64-7
Product Name:
dimethyl 3-isothiocyanatothiophene-2,5-dicarboxylate
Formula:
C9H7NO4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 257.3 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 256.98165005 g/mol |
| Monoisotopic Mass | 256.98165005 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 340 |
| 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 |