113504-93-1 | 3,4-Methylenedioxyphenyl isothiocyanate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$16.00	$12.00

Description

• Catalog Number: AA11238
• Chemical Name: 3,4-Methylenedioxyphenyl isothiocyanate
• CAS Number: 113504-93-1
• Molecular Formula: C8H5NO2S
• Molecular Weight: 179.1958
• MDL Number: MFCD00066321
• SMILES: S=C=Nc1ccc2c(c1)OCO2

Computed Properties

• Complexity: 215
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• XLogP3: 3

Upstream Synthesis Route

1,3-Benzodioxole,5-isothiocyanato- is a versatile compound that plays a crucial role in chemical synthesis. This compound is commonly used as a key building block in the creation of various organic molecules and materials. Its unique structure enables it to participate in a wide range of reactions, making it a valuable tool for synthetic chemists.One of the primary applications of 1,3-Benzodioxole,5-isothiocyanato- in chemical synthesis is in the formation of carbon-sulfur bonds. The isothiocyanate group present in this compound readily reacts with nucleophiles to form stable carbon-sulfur bonds. This reaction is highly useful in the synthesis of organosulfur compounds, which have diverse applications in pharmaceuticals, agrochemicals, and materials science.Additionally, 1,3-Benzodioxole,5-isothiocyanato- can also be employed as a precursor for the synthesis of complex heterocyclic compounds. By selectively modifying the functional groups attached to the benzodioxole ring, chemists can access a wide range of structurally diverse molecules with various properties and functions. This versatility makes 1,3-Benzodioxole,5-isothiocyanato- a valuable tool in the development of new organic materials and pharmaceutical agents.