1,2-Diphenylethyl isothiocyanate
(1-isothiocyanato-2-phenylethyl)benzene
Also Known As: 1,2-Diphenylethyl isothiocyanate|1,2-diphenylethylisothiocyanate|(1-isothiocyanato-2-phenylethyl)benzene|(2-Isothiocyanato-2-phenylethyl)benzene|(2-Isothiocyanato-2-phenylethyl)benzene #|1,1'-(1-Isothiocyanatoethane-1,2-diyl)dibenzene|1,1'-(1-Isothiocyanatoethane-1,2-diyl)dibenzenato
CAS: 71056-06-9
| Molecular Formula | C15H13NS |
|---|---|
| Molecular Weight | 239.07687 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.07687 |
| Monoisotopic Mass | 239.07687 |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 71056-06-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C2=CC=CC=C2)N=C=S |
| InChIKey | SFNJUHMQHYRSJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Pharmaceutical Intermediates (6 patents)
Product Overview
1,2-Diphenylethyl isothiocyanate (CAS 71056-06-9), with molecular formula C15H13NS and molecular weight 239.07687 g/mol. IUPAC: (1-isothiocyanato-2-phenylethyl)benzene.
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.
View MSDS →
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