3-Acetylphenylisothiocyanate
1-(3-isothiocyanatophenyl)ethanone
Also Known As: 3-Acetylphenyl Isothiocyanate|1-(3-Isothiocyanatophenyl)ethanone|3-Acetylphenylisothiocyanate|ACMC-20anak|1-(3-isothiocyanatophenyl)ethan-1-one|3-Acetyl phenyl isothiocyanate|3-acetylbenzenisothiocyanate|3'-Isothiocyanatoacetophenone|4-Fluoro-3-methoxybenzoic acid|1-(3-isothiocyanato-phenyl)-ethanone|3-methylcarbonylphenyl isothiocyanate|9873AD|1-(3-Isothiocyanatophenyl)ethanone #|Ethanone,1-(3-isothiocyanatophenyl)-|J2.578.484G|125A711|I09-4087
| Molecular Formula | C9H7NOS |
|---|---|
| Molecular Weight | 177.02484 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 61.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.02484 |
| Monoisotopic Mass | 177.02484 |
| Heavy Atoms | 12 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 82846-18-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)N=C=S |
| InChIKey | RGANVWCPAAIVNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetylphenylisothiocyanate (CAS 82846-18-2), with molecular formula C9H7NOS and molecular weight 177.02484 g/mol. IUPAC: 1-(3-isothiocyanatophenyl)ethanone.
3-Acetylphenylisothiocyanate is a custom synthesis product. We offer services from milligram to kilogram scale.
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