3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid
Basic information
- CAS
71023-03-5- Standard SMILES
CC(C(=O)S)C(O)(c1ccccc1)c1ccccc1- InChIKey
LDOMPYBFUFTYLC-UHFFFAOYSA-N- Molecular formula
- C16H16O2S
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.08710092
Names & identifiers
- Preferred name
- 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid
- IUPAC
- 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid
Names & synonyms
71023-03-53-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acidNSC309111DTXSID50316946NSC-309111
Database identifiers
- CAS
71023-03-5- PubChem CID
- 328824
- DTXSID
DTXSID50316946
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…