4-Nitrothioanisole

4-Nitrothioanisole in acetone-d6 solution exhibits twofold barrier to rotation about the Csp2-S bond as 16. 1±1. 5kJ/mol. 4-Nitrothioanisole undergoes hydrogenation in the presence of sulfided Pd/C catalysts.

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Catalog Number CBB1117979
Alternative Name(s) Methyl-4-nitrophenyl sulfide
Molecular Formula O2NC6H4SCH3
CAS# 701-57-5
Purity >96%
Inchi 1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
Inchi Key NEZGPRYOJVPJKL-UHFFFAOYSA-N
SMILES CSc1ccc(cc1)[N+]([O-])=O
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