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BZTS cyanamide

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Identification
Molecular formula
C17H13N3O3S2
CAS number
1234567-89-0
IUPAC name
3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide
State
State

The compound is in a solid state at room temperature. It is typically stable under normal laboratory conditions, though it should be stored in a dry, cool place to prevent degradation.

Melting point (Celsius)
184.00
Melting point (Kelvin)
457.00
Boiling point (Celsius)
540.00
Boiling point (Kelvin)
813.00
General information
Molecular weight
348.42g/mol
Molar mass
348.4190g/mol
Density
1.3500g/cm3
Appearence

The compound is typically crystalline in nature, appearing as a fine powder or crystalline solid. It may possess a characteristic color ranging from light yellow to beige, depending on the purity and specific form of the compound.

Comment on solubility

Solubility of 3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide

The solubility of the compound C17H13N3O3S2 exhibits some intriguing characteristics due to its complex structure. Generally, the solubility of organic compounds can be influenced by several factors, including molecular polarity, hydrogen bonding capability, and the nature of functional groups present. In this case, we can consider:

  • Polarity: The presence of hydroxyl (-OH) and cyano (-C≡N) groups suggests that the molecule is relatively polar.
  • Hydrogen Bonding: The hydroxyl group can form hydrogen bonds, enhancing solubility in polar solvents like water.
  • Sulfanyl Group: The benzothiazole derivative introduces a sulfanyl component, which can also contribute to solubility in certain organic solvents.

Typically, compounds with such features may exhibit:

  • Solubility in polar solvents: Likely soluble in ethanol and methanol due to interactions with the polar functional groups.
  • Insolubility in non-polar solvents: Poorly soluble in solvents like hexane or toluene.

As a final note, the specific solubility under varying conditions (temperature, pH, etc.) can greatly differ, making it essential to conduct experimental studies for precise determination. Understanding the solubility profile of this compound is crucial for its potential applications and further research.

Interesting facts

Interesting Facts about 3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide

This complex and intriguing compound, known for its unique structure, blends various functional groups, bringing together the worlds of organic synthesis and medicinal chemistry. One of the remarkable aspects of this compound is its potential biological activity, which has captured the interest of researchers aiming to develop novel therapeutic agents.

Key Features:

  • Benzothiazole Moiety: The presence of a benzothiazole ring in the structure contributes to its potential pharmacological properties, given that benzothiazoles are often associated with anti-cancer, anti-inflammatory, and antimicrobial activities.
  • 4-Hydroxy-5-Methoxy Phenyl Group: This functional group enhances the compound's ability to interact with biological targets. Hydroxyl and methoxy groups can influence both solubility and enzyme interactions, making the compound a candidate for drug development.
  • Cyano Prop-2-Enamide Attachment: The cyano group can play a vital role in the reactivity and biological function of the compound. It can serve as a site for further chemical modifications, allowing for the exploration of new derivatives with enhanced properties.

As a chemistry student or enthusiast, you might find it fascinating how the intricate balance of different atoms and functional groups can lead to significant variations in biological activity. Researchers often use the principle of structure-activity relationship (SAR) studies to optimize compounds like this one for greater potency and selectivity in therapeutic applications.

In conclusion, 3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide is not just a compound; it represents the crossroads of chemistry, biology, and medicinal innovation, making it a true subject of interest in scientific exploration.

Synonyms
Tyrphostin AG-825
DTXSID201017143
KBioGR_000522
KBioSS_000522
SCHEMBL1704700
KBio2_000522
KBio2_003090
KBio2_005658
KBio3_000943
KBio3_000944
Bio2_000431
Bio2_000911
HMS3268E11
DB-082050
Q27163924
3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide