ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names and Identifiers of 100068-52-8
CAS Number |
100068-52-8 |
|---|---|
MDL Number |
MFCD00297442 |
IUPAC Name |
ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
InChI |
InChI=1S/C12H16N2O3S/c1-2-17-11(15)9-7-5-3-4-6-8(7)18-10(9)14-12(13)16/h2-6H2,1H3,(H3,13,14,16) |
InChIKey |
GWODVUCCBIQPDW-UHFFFAOYSA-N |
Canonical SMILES |
CCOC(=O)C1=C(NC(N)=O)SC2=C1CCCC2 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 100068-52-8
Exact Mass |
268.08800 |
|---|---|
H Bond Acceptors |
2 |
H Bond Donors |
2 |
LogP |
3.06750 |
Molecular Formula |
C12H16N2O3S |
Molecular Weight |
268.33200 |
PSA |
109.66000 |
Safety Information of 100068-52-8
Applications of 100068-52-8
Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate serves as an important intermediate in organic synthesis. It is utilized in:
- The development of thienopyrimidine derivatives.
- The creation of azo dyes and other colorants.
- The synthesis of bioactive compounds with potential therapeutic applications.
Interaction Studies of 100068-52-8
Interaction studies have shown that this compound can engage in various molecular interactions due to its functional groups. For example, it has been tested for its binding affinity to biological targets relevant to inflammation and microbial resistance. These studies are crucial for understanding its mechanism of action and optimizing its pharmacological profile.
Biological Activity of 100068-52-8
Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits promising biological activities. Research indicates that it may possess antimicrobial and anti-inflammatory properties, making it a candidate for drug development. Its derivatives have been investigated for hypnotic effects and other pharmacological activities, suggesting its potential as a therapeutic agent in various medical applications.
Cas:4506-71-2
