Basic information
- Standard SMILES
CC(C)(C)c1cc(CCc2nsc(=O)o2)cc(C(C)(C)C)c1O- InChIKey
KQHGPEZVRORWAX-UHFFFAOYSA-N- Molecular formula
- C18H25NO3S
- Average molar mass
- 335.5 g/mol
Names & identifiers
- Preferred name
- 5-[2-(4-Hydroxy-3,5-di-tert-butylphenyl)ethyl]-1,3,4-oxathiazol-2-one
- IUPAC
- 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-1,3,4-oxathiazol-2-one
Names & synonyms
SCHEMBL106747775-[2-(4-hydroxy-3,5-di-tert-butylphenyl)ethyl]-1,3,4-oxathiazol-2-one
Database identifiers
- PubChem CID
- 20152932
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
1 records
Compound notes
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