S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate
Basic information
- CAS
58058-57-4- Standard SMILES
CC(C)(C)SC(=O)CC(O)(c1ccccc1)c1ccccc1- InChIKey
NOJQMMZPMMIOBT-UHFFFAOYSA-N- Molecular formula
- C19H22O2S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.13405111
Names & identifiers
- Preferred name
- S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate
- IUPAC
- S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate
Names & synonyms
S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate58058-57-4DTXSID30312643RefChem:379617DTXCID30263767NSC259925NSC-259925DS-0048783-Hydroxy-3,3-diphenyl-1-tert-butylsulfanyl-propan-1-one
Database identifiers
- CAS
58058-57-4- PubChem CID
- 318930
- DTXSID
DTXSID30312643
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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