3,4-Dichlorobenzoyl isothiocyanate
3,4-dichlorobenzoyl isothiocyanate
Also Known As: 3,4-dichlorobenzoyl isothiocyanate|NCIOpen2_003353|3,4-dichloro-benzoyl isothiocyanate|3,4-dichlorobenzoylisothiocyanate|3,4-Dichloro-1-benzenecarbonyl isothiocyanate
CAS: 86944-36-7
| Molecular Formula | C8H3Cl2NOS |
|---|---|
| Molecular Weight | 230.93124 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 61.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.93124 |
| Monoisotopic Mass | 230.93124 |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 86944-36-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)N=C=S)Cl)Cl |
| InChIKey | SEKAYAYPFHKTFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (6 patents)
Pharmaceutical Intermediates (12 patents)
Product Overview
3,4-Dichlorobenzoyl isothiocyanate (CAS 86944-36-7), with molecular formula C8H3Cl2NOS and molecular weight 230.93124 g/mol. IUPAC: 3,4-dichlorobenzoyl isothiocyanate.
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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