CAS 1274892-61-3

Carbamimidothioic acid, 2-[[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl ester, hydrochloride (1:1)

Description:

Carbamimidothioic acid, 2-[[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl ester, hydrochloride (1:1), identified by CAS number 1274892-61-3, is a chemical compound characterized by its complex structure that includes an indole moiety, which is known for its biological significance and presence in various natural products. This compound features a carbamimidothioic acid functional group, which contributes to its potential reactivity and biological activity. The hydrochloride form indicates that it is a salt, enhancing its solubility in water and stability. The presence of the indole ring suggests potential interactions with biological systems, making it of interest in medicinal chemistry and pharmacology. Additionally, the ester functionality may influence its lipophilicity and permeability, affecting its bioavailability. Overall, this compound's unique structural features may provide avenues for research in drug development, particularly in targeting specific biological pathways or conditions. However, detailed studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₃H₁₆N₄OS·ClH

InChI: InChI=1S/C13H16N4OS.ClH/c14-13(15)19-8-12(18)16-6-5-9-7-17-11-4-2-1-3-10(9)11;/h1-4,7,17H,5-6,8H2,(H3,14,15)(H,16,18);1H

InChI key: InChIKey=NEJWPPBTAXTOFU-UHFFFAOYSA-N

SMILES: C(CNC(CSC(=N)N)=O)C=1C=2C(NC1)=CC=CC2.Cl

Synonyms:

• Carbamimidothioic acid, 2-[[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl ester, hydrochloride (1:1)

2-amidinothio-N-(2-indol-3-ylethyl)ethanamide, hydrochloride

CAS: 1274892-61-3

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Formula: C₁₃H₁₇ClN₄OS

Purity: Min. 95%

Molecular weight: 312.82 g/mol

Ref: 3D-ZAC89261