3-Methoxybenzyl isothiocyanate
1-(isothiocyanatomethyl)-3-methoxybenzene
Also Known As: 3-Methoxybenzyl isothiocyanate|Limnanthin|m-Methoxybenzylisothiocyanate|1-(isothiocyanatomethyl)-3-methoxybenzene|3-Methoxybenzylisothiocyanate|m-methoxybenzyl isothiocyanate|Benzene, 1-(isothiocyanatomethyl)-3-methoxy-|2-Chloro-4-methoxyphenylboronic acid|9218AE|3-METHOXYBENXYL ISOTHIOCYANATE|Benzene,1-(isothiocyanatomethyl)-3-methoxy-|Isothiocyanic acid, m-methoxybenzyl ester|1-(isothiocyanatomethyl)-3-methoxy-benzene|J1.803.581B|Y-8861|I01-14614|671-091-8
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04048 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.04048 |
| Monoisotopic Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 79084-79-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CN=C=S |
| InChIKey | SSSDJJXWAVRNCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxybenzyl isothiocyanate (CAS 79084-79-0), with molecular formula C9H9NOS and molecular weight 179.04048 g/mol. IUPAC: 1-(isothiocyanatomethyl)-3-methoxybenzene.
3-Methoxybenzyl isothiocyanate is a custom synthesis product. We offer services from milligram to kilogram scale.
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