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Imuthiol

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Identification
Molecular formula
C12H17N3S2
CAS number
4357-76-2
IUPAC name
2-[2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl]isothiourea
State
State

Solid at room temperature.

Melting point (Celsius)
146.00
Melting point (Kelvin)
419.15
Boiling point (Celsius)
250.00
Boiling point (Kelvin)
523.15
General information
Molecular weight
251.36g/mol
Molar mass
251.3550g/mol
Density
1.2650g/cm3
Appearence

It appears as a crystalline solid that is generally colorless to almost white.

Comment on solubility

Solubility of 2-[2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl]isothiourea

The solubility characteristics of 2-[2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl]isothiourea (C12H17N3S2) can provide valuable insights into its behavior in various environments. Understanding its solubility is critical for applications in pharmaceuticals and chemical processes. Here are some key points regarding its solubility:

  • Solvent Compatibility: This compound is likely to exhibit varying solubility in different solvents. Polar solvents such as water or methanol may enhance its solubility due to the presence of amine and thiourea functional groups.
  • Effect of pH: The solubility may change significantly with pH adjustments. Compounds with functional groups like isothioureas often have different solubility profiles in acidic versus alkaline conditions.
  • Temperature Dependency: As with many solids, its solubility can increase with temperature. Higher temperatures often provide more kinetic energy to molecules, resulting in greater solubility.
  • Hydrogen Bonding: The ability of the compound to form hydrogen bonds with a solvent can greatly influence its solubility. The presence of nitrogen and sulfur atoms in the compound enhances this capacity.

In summary, the solubility of 2-[2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl]isothiourea is not only pivotal in its chemical applications but also influenced by various factors, such as solvent type, pH, temperature, and intermolecular interactions. Exploring these aspects can lead to a better understanding of its potential uses in various fields.

Interesting facts

Interesting Facts about 2-[2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl]isothiourea

This compound, known for its unique structure, is a *derivative of isothiourea*, a class of compounds well-studied for their diverse biological activities. Here are some fascinating insights:

  • Potential Therapeutic Uses: Compounds related to isothiourea exhibit considerable potential in medicinal chemistry, showing promise in the treatment of various diseases, including cancer and diabetes. The specific structure of this compound might also hint at specific interactions with biological molecules.
  • Mechanism of Action: Isothioureas can act as inhibitors of several enzymes such as carbonic anhydrase and urease, making this compound a point of interest for drug design and development.
  • Synthesis Complexity: The synthesis of this compound showcases advanced synthetic organic chemistry techniques, including the careful manipulation of functional groups to achieve the desired biological activity.
  • Structure-Activity Relationships: The presence of the 2-carbamimidoyl group impacts the reactivity and selectivity of the compound significantly, emphasizing the importance of structural modifications in drug design.
  • Research Interest: Ongoing research is focused on characterizing the biological activity and understanding the pharmacokinetics of this compound, potentially leading to novel therapeutic agents.

The exploration of compounds like 2-[2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl]isothiourea not only enriches our understanding of organic chemistry but also opens pathways for innovation in pharmaceuticals. As noted by researchers, "Every modification in the molecular structure can lead to diverse biological implications." This emphasizes the exciting realm of possibilities that exist in the field of medicinal chemistry.

Synonyms
PIBTU
2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
CHEMBL107201
S,S'-(1,3-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA
1,3-PB-ITU
benzene-1,3-diyldiethane-2,1-diyl dicarbamimidothioate
1,3-pbit
Lopac-P-8227
Lopac0_000963
3BT
GTPL5246
SCHEMBL1576213
YEUSLPIIQGZHQB-UHFFFAOYSA-N
KUC108636N
BDBM50240717
HSCI1_000311
CCG-205043
DB03910
KSC-19-210
NCGC00015843-01
NCGC00015843-02
NCGC00015843-03
NCGC00162297-01
NS00069238
Q27088383
S,S'-1,3-Phenylenebis(1,2-ethanediyl)bisisothiourea
s,s'-1,3-phenylene-bis(1,2-ethanediyl)-bis-isothiourea
benzene-1,3-diyldiethane-2,1-diyl bis(imidothiocarbamate)
[(2-{3-[2-(carbamimidoylsulfanyl)ethyl]phenyl}ethyl)sulfanyl]methanimidamide