Basic information
- Standard SMILES
CC(C)(C)c1cc(C=Cc2n[nH]c(=S)o2)cc(C(C)(C)C)c1O- InChIKey
GSGJLFJLSJOIGJ-UHFFFAOYSA-N- Molecular formula
- C18H24N2O2S
- Average molar mass
- 332.5 g/mol
Names & identifiers
- Preferred name
- 5-[2-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenyl]-1,3,4-oxadiazole-2(3H)-thione
- IUPAC
- 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione
Names & synonyms
SCHEMBL9179690GSGJLFJLSJOIGJ-UHFFFAOYSA-N5-[2-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenyl]-1,3,4-oxadiazole-2(3H)-thione5- [2-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenyl]-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- PubChem CID
- 136079804
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 490
Experimental & physicochemical properties
LogP3.0
Related reactions
2 records
Compound notes
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