2,5-Dimethoxyphenyl isothiocyanate
2-isothiocyanato-1,4-dimethoxybenzene
Also Known As: 2,5-Dimethoxyphenyl isothiocyanate|2,5-dimethoxyphenylisothiocyanate|2-Isothiocyanato-1,4-dimethoxybenzene|ACMC-1AMRR|2,5-dimethoxybenzenisothiocyanate|(2,5-dimethoxyphenyl)isothiocyanate|Benzene, 2-isothiocyanato-1,4-dimethoxy-|2-isothiocyanato-1,4-dimethoxy-benzene|2-Isothiocyanato-1,4-dimethoxybenzene #|I01-18154|F0001-1148|624-179-5
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.0354 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0354 |
| Monoisotopic Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 40532-06-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N=C=S |
| InChIKey | RADQLZMDTYWZKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethoxyphenyl isothiocyanate (CAS 40532-06-7), with molecular formula C9H9NO2S and molecular weight 195.0354 g/mol. IUPAC: 2-isothiocyanato-1,4-dimethoxybenzene.
2,5-Dimethoxyphenyl isothiocyanate is a custom synthesis product. We offer services from milligram to kilogram scale.
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