CAS 1235441-80-1

Carbamimidothioic acid, N′-(3-ethoxypropyl)-N-[(4-methoxyphenyl)methyl]-, dodecyl ester, hydrobromide (1:1)

Description:

Carbamimidothioic acid, N′-(3-ethoxypropyl)-N-[(4-methoxyphenyl)methyl]-, dodecyl ester, hydrobromide (1:1) is a complex organic compound characterized by its unique functional groups and structural features. This substance contains a carbamimidothioic acid moiety, which is known for its thiourea-like properties, and is further modified with an ethoxypropyl group and a methoxyphenylmethyl substituent, contributing to its hydrophobic characteristics. The presence of a dodecyl ester indicates a long hydrocarbon chain, enhancing its lipophilicity and potential applications in surfactants or emulsifiers. The hydrobromide salt form suggests increased solubility in polar solvents, which can be advantageous for various chemical reactions or formulations. Overall, this compound may exhibit interesting biological activities or serve as a precursor in synthetic chemistry, although specific applications would depend on further research into its reactivity and interactions with biological systems. Its structural complexity and functional diversity make it a candidate for exploration in medicinal chemistry and materials science.

Formula: C₂₆H₄₆N₂O₂S·BrH

InChI: InChI=1S/C26H46N2O2S.BrH/c1-4-6-7-8-9-10-11-12-13-14-22-31-26(27-20-15-21-30-5-2)28-23-24-16-18-25(29-3)19-17-24;/h16-19H,4-15,20-23H2,1-3H3,(H,27,28);1H

InChI key: InChIKey=QGMVOKYJYSCICP-UHFFFAOYSA-N

SMILES: C(N=C(SCCCCCCCCCCCC)NCCCOCC)C1=CC=C(OC)C=C1.Br

Synonyms:

• Carbamimidothioic acid, N′-(3-ethoxypropyl)-N-[(4-methoxyphenyl)methyl]-, dodecyl ester, hydrobromide (1:1)

N-[(Dodecylsulfanyl)({[(4-methoxyphenyl)methyl]amino})methylidene]-3-ethoxypropan-1-amine hydrobromide

CAS: 1235441-80-1

Versatile small molecule scaffold

Formula: C₂₆H₄₇BrN₂O₂S

Purity: Min. 95%

Molecular weight: 531.6 g/mol

Ref: 3D-KZB44180