2D Chemical StructureDatabase ID 57202287
No renderable structure data available
SMILES
C1=CC(=CC(=C1)C#N)CSStructure data verified · Database ID 57202287
Chemical Intermediate
3-(sulfanylmethyl)benzonitrile
CAS 97136-91-9Product ID 600571
| Intermediates | 3-(sulfanylmethyl)benzonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 97136-91-9 |
| Database ID | 57202287 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-(sulfanylmethyl)benzonitrile
3-(sulfanylmethyl)benzonitrile (CAS 97136-91-9) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number97136-91-9
Database ID57202287
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 57202287
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)C#N)CS
- 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 97136-91-93-(sulfanylmethyl)benzonitrile
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