2,6-DI-Tert-butyl-4-thiocyanato-phenol
(3,5-ditert-butyl-4-hydroxyphenyl) thiocyanate
Also Known As: Probucol Impurity 10|2,6-DI-TERT-BUTYL-4-THIOCYANATO-PHENOL|2,6-di-tert-butyl-4-thiocyanatophenol|2,6-Di(tert-butyl)-4-thiocyanatophenol|3,5-Ditert-butyl-4-hydroxyphenyl thiocyanate|2,6-Bis(1,1-dimethylethyl)-4-thiocyanophenol|3,5-di-t-butyl-4-hydroxyphenylthiocyanate|3,5-Di-tert-butyl-4-hydroxyphenyl thiocyanate|(3,5-ditert-butyl-4-hydroxyphenyl) thiocyanate|3,5-Ditert-butyl-4-hydroxyphenyl thiocyanate #|3,5-bis(1,1-Dimethylethyl)-4-hydroxyphenyl thiocyanate|3,5-bis(1,1-dimethylethyl)-4-hydroxyphenylthiocyanate|[(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)SULFANYL]FORMONITRILE
| Molecular Formula | C15H21NOS |
|---|---|
| Molecular Weight | 263.1344 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.1344 |
| Monoisotopic Mass | 263.1344 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 3957-71-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC#N |
| InChIKey | DTXYORKWCOQPMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-DI-Tert-butyl-4-thiocyanato-phenol (CAS 3957-71-9), with molecular formula C15H21NOS and molecular weight 263.1344 g/mol. IUPAC: (3,5-ditert-butyl-4-hydroxyphenyl) thiocyanate.