2D Chemical StructureDatabase ID 2432646
No renderable structure data available
SMILES
C1=CC=C(C(=C1)C(=O)O)SCC2=CC=C(C=C2)C#NStructure data verified · Database ID 2432646
Chemical Intermediate
2-[(4-cyanophenyl)methylsulfanyl]benzoic acid
CAS 100961-52-2Product ID 6059
| Intermediates | 2-[(4-cyanophenyl)methylsulfanyl]benzoic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 100961-52-2 |
| Database ID | 2432646 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-[(4-cyanophenyl)methylsulfanyl]benzoic acid
2-[(4-cyanophenyl)methylsulfanyl]benzoic acid (CAS 100961-52-2) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number100961-52-2
Database ID2432646
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 2432646
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC=C(C(=C1)C(=O)O)SCC2=CC=C(C=C2)C#N
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 100961-52-22-[(4-cyanophenyl)methylsulfanyl]benzoic acid
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