CAS 247109-16-6

Tetrahydro-4-thioxo-1,3,5-triazine-1(2H)-butanoic acid

Description:

Tetrahydro-4-thioxo-1,3,5-triazine-1(2H)-butanoic acid, identified by its CAS number 247109-16-6, is a heterocyclic compound featuring a triazine ring structure. This compound is characterized by the presence of a thioxo group, which contributes to its reactivity and potential biological activity. The tetrahydro configuration indicates that the triazine ring is saturated, which can influence its stability and solubility in various solvents. The butanoic acid moiety suggests that it possesses carboxylic acid functionality, imparting acidic properties and the ability to participate in various chemical reactions, such as esterification or amidation. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its unique structural features could also allow for interactions with biological targets, potentially leading to applications in drug development or agrochemicals. However, specific data regarding its toxicity, environmental impact, and detailed reactivity would require further investigation and analysis.

Formula: C₇H₁₃N₃O₂S

InChI: InChI=1S/C7H13N3O2S/c11-6(12)2-1-3-10-4-8-7(13)9-5-10/h1-5H2,(H,11,12)(H2,8,9,13)

InChI key: InChIKey=VBMQYMHDBZIRNJ-UHFFFAOYSA-N

SMILES: C(CCC(O)=O)N1CNC(=S)NC1

Synonyms:

• Tetrahydro-4-thioxo-1,3,5-triazine-1(2H)-butanoic acid
• 1,3,5-Triazine-1(2H)-butanoic acid, tetrahydro-4-thioxo-

4-(4-Thioxo-[1,3,5]triazinan-1-yl)-butyric acid

CAS: 247109-16-6

Formula: C₇H₁₃N₃O₂S

Purity: 95.0%

Molecular weight: 203.26

Ref: 10-F029115