5330-87-0 Usage
Molecular structure
2-(5-[(4-methoxyphenoxy)methyl]-4-prop-2-en-1-yl-4H-1,2,4-triazol-3-ylsulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide is a complex organic compound with multiple functional groups and a triazole ring at its core.
Triazole ring
The compound features a 4H-1,2,4-triazol-3-yl ring, which is a five-membered heterocyclic ring consisting of three nitrogen atoms and two carbon atoms. This ring is known for its stability and presence in various biologically active compounds.
Thiol group
A sulfanyl (thiol) group is attached to the triazole ring, which consists of a sulfur atom bonded to a hydrogen atom. Thiol groups are known for their strong reducing properties and ability to form disulfide bonds, making them important in redox reactions and protein structure.
Acetamide group
The compound contains an acetamide group (-NHCOCH3), which is an amide derivative of acetic acid. Acetamide groups are common in peptides and proteins and can participate in hydrogen bonding, affecting the compound's solubility and stability.
Phenyl group with methylsulfanyl substituent
A phenyl ring (a six-membered carbon ring with alternating single and double bonds) is attached to the nitrogen atom of the acetamide group, featuring a methylsulfanyl (-SCH3) substituent. This group imparts a distinct odor and can influence the compound's lipophilicity.
Methoxyphenoxy group
A methoxyphenoxy group (an oxygen-bridged aryl ether with a methoxy substituent) is attached to the triazole ring's carbon atom. This group is known for its electron-donating properties and can influence the compound's reactivity and solubility.
Potential pharmacological and biochemical applications
Due to its complex structure and various functional groups, 2-({5-[(4-methoxyphenoxy)methyl]-4-prop-2-en-1-yl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide may have potential applications in pharmacology and biochemistry. However, further research and analysis are needed to fully understand its properties and uses.
Check Digit Verification of cas no
The CAS Registry Mumber 5330-87-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,3 and 0 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5330-87:
(6*5)+(5*3)+(4*3)+(3*0)+(2*8)+(1*7)=80
80 % 10 = 0
So 5330-87-0 is a valid CAS Registry Number.
5330-87-0Relevant academic research and scientific papers
Anatomy of a gel. Amino acid derivatives that rigidify water at submillimolar concentrations
Menger,Caran
, p. 11679 - 11691 (2007/10/03)
On the basis of suggestive X-ray data, 14 aroyl L-cystine derivatives were designed, synthesized, and examined for their ability to gelate water. Several members of this amino acid family are remarkably effective aqueous gelators (the best being one that can rigidify aqueous solutions at 0.25 mM, ca. 0.01%, in less than 30 s!). A few of the analogues separate from water as crystals, indicating a close relationship between gelation and crystallization. All effective gelators self-assemble into fibrous structures that entrain the solvent in the capillary spaces among them. Hydrogen-bonding sites on the compounds that might stabilize the fibers were identified from specific substitutions that replace a hydrogen donor with a methyl group, enhance the hydrogen-accepting ability of a carbonyl oxygen, or promote the hydrogen-donating ability of an amide proton. The structural variations were characterized via minimal gelation concentrations and times, X-ray crystallography, light and electron microscopy, rheology, and calorimetry. The multiple techniques, applied to the diverse compounds, allowed an extensive search into the basis of gelation. It was learned, for example, that the compound with the lowest minimum gelator concentration and time also has one of the weakest gels (i.e., it has a low elastic modulus). This is attributed to kinetic effects that perturb the length of the fibers. It was also argued that π/π stacking, the carboxyl carbonyl (but not the carboxyl proton), and solubility factors all contribute to the stability of a fiber. Polymorphism also plays a role. Rheological studies at different temperatures show that certain gels are stable to a 1-Hz, 3-Pa oscillating shear stress at temperatures as high as 90 °C. Other gels have a 'catastrophic' break at lower temperatures. Calorimetric data indicate a smooth transition from gel to sol as the temperature is increased. These and other issues are discussed in this 'anatomy' of a gel.
