2-((3-(4-Hydroxy-2,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethanaminium thiocyanate, 98% +(E)

cas: 7431-77-8 — see every product listed under this CAS number, including other names

2-((3-(4-Hydroxy-2,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethanaminium thiocyanate, 98% +(E) (CAS 7431-77-8) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 250mg, 1g. Offered by: BLDpharm.

• 2D
• 3D

2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium thiocyanate (CAS 7431-77-8) is a chemical compound with the molecular formula C17H24N2O5S and a molecular weight of 368.4 g/mol. IUPAC name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium thiocyanate. InChIKey: YLELSNOPYHTYTB-UHFFFAOYSA-N.

Identity

Molecular formula	C17H24N2O5S
Molecular weight	368.4 g/mol
IUPAC name	2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium thiocyanate
InChIKey	YLELSNOPYHTYTB-UHFFFAOYSA-N
SMILES	C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC.C(#N)[S-]

Computed by PubChem (NCBI)

Synonyms: Sinapine thiocyanate anhydrous, Choline, thiocyanate, 4-hydroxy-3,5-dimethoxycinnamate, Sinapine thiocyanate, Sinapine (thiocyanate), Sinapinethiocyanate, orb1990343

Isomers (same molecular formula)

4-oxo-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butanoic acid C₁₇H₂₄N₂O₅S

(2S)-2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methylbutanoic acid C₁₇H₂₄N₂O₅S

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(2-phenylacetyl)amino]methylsulfanyl]propanoic acid C₁₇H₂₄N₂O₅S

2-[1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclohexyl]acetic acid C₁₇H₂₄N₂O₅S

tert-butyl 1-oxo-1-phenylmethoxycarbonylimino-1,4-thiazinane-4-carboxylate C₁₇H₂₄N₂O₅S

4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid C₁₇H₂₄N₂O₅S

2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid C₁₇H₂₄N₂O₅S

methyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfanylamino]-3-phenylpropanoyl]amino]acetate C₁₇H₂₄N₂O₅S