Benzaldehyde, 4-isothiocyanato-
4-isothiocyanatobenzaldehyde
CAS: 16534-85-3
| Molecular Formula | C8H5NOS |
|---|---|
| Molecular Weight | 163.2 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 61.5 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.00919 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 16534-85-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)N=C=S |
| InChIKey | SKHHEIODGHNYBO-UHFFFAOYSA-N |
📖 Product Overview
Benzaldehyde, 4-isothiocyanato- (CAS: 16534-85-3) is a chemical compound with molecular formula C8H5NOS and molecular weight 163.2 g/mol. Its IUPAC systematic name is 4-isothiocyanatobenzaldehyde.
SKHHEIODGHNYBO-UHFFFAOYSA-N.
SMILES: C1=CC(=CC=C1C=O)N=C=S.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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