2,2-Diphenyl-3-sulfanylpropanoic acid
Basic information
- CAS
53216-38-9- Standard SMILES
O=C(O)C(CS)(c1ccccc1)c1ccccc1- InChIKey
GRQWVXFUKGSABP-UHFFFAOYSA-N- Molecular formula
- C15H14O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.07145086
Names & identifiers
- Preferred name
- 2,2-Diphenyl-3-sulfanylpropanoic acid
- IUPAC
- 2,2-diphenyl-3-sulfanylpropanoic acid
Names & synonyms
2,2-Diphenyl-3-sulfanylpropanoic acid53216-38-9DTXSID80279297RefChem:243650DTXCID10230452NSC12127GRQWVXFUKGSABP-UHFFFAOYSA-NNSC-121273-mercapto-2,2-diphenylpropionic acid2,2-Diphenyl-3-sulfanylpropanoic acid #Propionic acid, 3-mercapto-2,2-diphenyl-Benzeneacetic acid, .alpha.-(mercaptomethyl)-.alpha.-phenyl]-
Database identifiers
- CAS
53216-38-9- PubChem CID
- 223983
- DTXSID
DTXSID80279297
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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