2D Chemical StructureDatabase ID 64171992
No renderable structure data available
SMILES
C1=CC(=CC(=C1)SCC#N)C(=O)OStructure data verified · Database ID 64171992
Chemical Intermediate
3-(cyanomethylsulfanyl)benzoic acid
CAS 1339606-40-4Product ID 149895
| Intermediates | 3-(cyanomethylsulfanyl)benzoic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 1339606-40-4 |
| Database ID | 64171992 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-(cyanomethylsulfanyl)benzoic acid
3-(cyanomethylsulfanyl)benzoic acid (CAS 1339606-40-4) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1339606-40-4
Database ID64171992
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 64171992
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC(=CC(=C1)SCC#N)C(=O)O
- 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 1339606-40-43-(cyanomethylsulfanyl)benzoic acid
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