1-(Benzo[d][1,3]dioxol-5-yl)thiourea

CAS: 65069-55-8

Ref. 3D-QCA06955

Informação sobre produto

• Nome: 1-(Benzo[d][1,3]dioxol-5-yl)thiourea
• Sinónimos: (1,3-Dioxaindan-5-yl)thiourea, (2H-1,3-Benzodioxol-5-yl)thiourea, 1,3-Benzodioxol-5-ylthiourea, 1-(1,3-Benzodioxol-5-Yl)Thiourea, 3,4-Methylenedioxyphenylthiourea, N-(1,3-Benzodioxol-5-yl)thiourea, N-1,3-Benzodioxol-5-ylthiourea, Thiourea, 1,3-benzodioxol-5-yl-, Thiourea, N-1,3-benzodioxol-5-yl-

Descrição

1-(Benzo[d][1,3]dioxol-5-yl)thiourea is a molecule that belongs to the class of heterocycles. The molecular geometry of this compound has been calculated at the density functional theory level using the B3LYP hybrid functional. The hyperpolarizability of 1-(benzo[d][1,3]dioxol-5-yl)thiourea has been calculated by using the polarizability and frequency parameters in conjunction with the frequency spectrum. The optimum values for these parameters have been determined from an analysis of the electronic structure and density theory.

• Marca: Biosynth

Propriedades químicas

• Peso molecular: 196.23 g/mol
• Fórmula: C₈H₈N₂O₂S
• Pureza: Min. 95%