Basic information
- CAS
1164-43-8- Standard SMILES
CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
BEJYISOPDBBZRK-UHFFFAOYSA-N- Molecular formula
- C20H25NO2S
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.16060021
Names & identifiers
- Preferred name
- S-[2-(diethylamino)ethyl] 2-hydroxy-2,2-diphenylethanethioate
- IUPAC
- S-[2-(diethylamino)ethyl] 2-hydroxy-2,2-diphenylethanethioate
Names & synonyms
CHEMBL23773871164-43-8AC1L7RMRDTXSID70311231BDBM50491119NSC240573NSC-240573S-[2-(Diethylamino)ethyl] hydroxydi(phenyl)ethanethioate
Database identifiers
- CAS
1164-43-8- PubChem CID
- 315401
- DTXSID
DTXSID70311231- ChEMBL
CHEMBL2377387
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…