Bis(2-isothiocyanatophenyl) sulfone
1-isothiocyanato-2-(2-isothiocyanatophenyl)sulfonylbenzene
Also Known As: bis(2-isothiocyanatophenyl) sulfone|Isothiocyanatophenyl sulfone|2,2'-sulfonylbis(isothiocyanatobenzene)|1,1'-sulfonylbis(2-isothiocyanatobenzene)|1-isothiocyanato-2-(2-isothiocyanatophenyl)sulfonylbenzene
CAS: 452-70-0
| Molecular Formula | C14H8N2O2S3 |
|---|---|
| Molecular Weight | 331.9748 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.9748 |
| Monoisotopic Mass | 331.9748 |
| Heavy Atoms | 21 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 452-70-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=C=S)S(=O)(=O)C2=CC=CC=C2N=C=S |
| InChIKey | OUMDLRNQGOKXMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
Bis(2-isothiocyanatophenyl) sulfone (CAS 452-70-0), with molecular formula C14H8N2O2S3 and molecular weight 331.9748 g/mol. IUPAC: 1-isothiocyanato-2-(2-isothiocyanatophenyl)sulfonylbenzene.
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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