4-Methoxybenzyl isothiocyanate
1-(isothiocyanatomethyl)-4-methoxybenzene
Also Known As: 4-Methoxybenzyl isothiocyanate|4-methoxybenzylisothiocyanate|1-(Isothiocyanatomethyl)-4-methoxybenzene|p-methoxybenzyl isothiocyanate|Phenethylidene-Malononitrile|ACMC-1CQ6L|p-methoxybenzylisothiocyanate|Benzene, 1-(isothiocyanatomethyl)-4-methoxy-|Para-methoxybenzylisothiocyanate|KS-00000VUS|1-(isothiocyanatomethyl)-4-methoxy-benzene|4-Methoxybenzyl isothiocyanic acid|(4-methoxyphenyl)methanisothiocyanate|1-Isothiocyanatomethyl-4-methoxy-benzene|1781AE|MALONONITRILE, PHENETHYLIDENE-|FS-4714|NCGC00184582-01|4-Methoxybenzyl Isothiocyanate, 96% 5Gr|1-ISOTHIOCYANATOMETHYL-4-METHOXYBENZENE|4-methoxybenzyl isothiocyanate, AldrichCPR
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04048 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 287.9 |
Chemical Identifiers
| CAS Number | 3694-57-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN=C=S |
Product Overview
4-Methoxybenzyl isothiocyanate (CAS 3694-57-3), with molecular formula C9H9NOS and molecular weight 179.04048 g/mol. IUPAC: 1-(isothiocyanatomethyl)-4-methoxybenzene.
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