CAS 53393-11-6

1-benzyl-1-methylthiourea

Description:

1-Benzyl-1-methylthiourea is an organic compound characterized by the presence of both a thiourea functional group and a benzyl substituent. Its molecular structure features a thiourea moiety, which consists of a carbon atom double-bonded to a sulfur atom and single-bonded to an amine group, specifically a methyl group in this case. The benzyl group, derived from toluene, contributes to the compound's hydrophobic characteristics and can influence its solubility and reactivity. Typically, thioureas exhibit properties such as moderate to high solubility in polar solvents and can participate in various chemical reactions, including nucleophilic substitutions and cyclizations. 1-Benzyl-1-methylthiourea may also exhibit biological activity, making it of interest in medicinal chemistry and pharmacology. Its CAS number, 53393-11-6, serves as a unique identifier for regulatory and research purposes. Overall, this compound's unique structure and functional groups contribute to its potential applications in various chemical and biological contexts.

Formula: C₉H₁₂N₂S

InChI: InChI=1/C9H12N2S/c1-11(9(10)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12)

SMILES: CN(Cc1ccccc1)C(=N)S

N-benzyl-N-methylthiourea

CAS: 53393-11-6

Formula: C₉H₁₂N₂S

Purity: 95.0%

Color and Shape: Solid

Molecular weight: 180.27

Ref: 10-F308782

N-Benzyl-N-methylthiourea

CAS: 53393-11-6

N-Benzyl-N-methylthiourea is an isomeric, bicyclic compound. It has antiaromatic properties and belongs to the thiazole class of compounds. It was isolated from a reaction mixture in which benzyl chloride and methylisothiourea were heated together with sodium amide. It has been reinvestigated as a possible intermediate for heterocyclic synthesis. The substance is stable at room temperature, but decomposes on heating.

Formula: C₉H₁₂N₂S

Purity: Min. 95%

Molecular weight: 180.27 g/mol

Ref: 3D-DCA39311