4-Bromobenzylisothiocyanate
1-bromo-4-(isothiocyanatomethyl)benzene
Also Known As: 4-Bromobenzylisothiocyanate|1-bromo-4-(isothiocyanatomethyl)benzene|4-bromobenzyl-isothiocyanate|4-Bromobenzyl isothiocyanate|1-bromo-4-isothiocyanatomethyl-benzene|4-Bromo-1-isothiocyanato-o-toluene|1-BROMO-4-ISOTHIOCYANATOMETHYLBENZENE|Benzene, 1-bromo-4-(isothiocyanatomethyl)-|Benzene,1-(bromomethyl)-4-isothiocyanato-
| Molecular Formula | C8H6BrNS |
|---|---|
| Molecular Weight | 226.94043 g/mol |
| LogP | 3.05 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.94043 |
| Heavy Atoms | 11 |
| Complexity | 274.6 |
Chemical Identifiers
| CAS Number | 2076-56-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CN=C=S)Br |
Product Overview
4-Bromobenzylisothiocyanate (CAS 2076-56-4), with molecular formula C8H6BrNS and molecular weight 226.94043 g/mol. IUPAC: 1-bromo-4-(isothiocyanatomethyl)benzene.
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