92412-69-6
Product Name:
1-ISOTHIOCYANATO-4-(TRANS-4-OCTYLCYCLO-H EXYL)BENZENE, 99
Formula:
C21H31NS
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COMPUTED DESCRIPTORS
| Molecular Weight | 329.5 g/mol |
|---|---|
| XLogP3 | 9.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 329.21772117 g/mol |
| Monoisotopic Mass | 329.21772117 g/mol |
| Topological Polar Surface Area | 44.4 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 345 |
| 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 |