Ethyl 4-isothiocyanatobenzoate

CAS : 1205-06-7

Ref. 3D-FE112196

Informations sur le produit

• Nom: Ethyl 4-isothiocyanatobenzoate
• Synonymes: 4-(Ethoxycarbonyl)phenyl isothiocyanate, 4-Carbethoxyphenyl isothiocyanate, 4-Isothiocyanatobenzoic acid ethyl ester, Benzoic acid, 4-isothiocyanato-, ethyl ester, Benzoic acid, p-isothiocyanato-, ethyl ester, NSC 294821, p-Carbethoxyphenyl isothiocyanate

Description

Ethyl 4-isothiocyanatobenzoate is a potential drug that has been shown to inhibit benzene metabolism in experimental studies. It is an electron donor and has a dipole moment, so it can form hydrogen bonds with other molecules. This molecule has a chloride substituent that may affect its binding affinity to proteins. The n-terminal amino acid residue of human hemoglobin may be involved in the binding process, which may explain the affinity for this molecule.

• Marque: Biosynth

Propriétés chimiques

• Masse moléculaire: 207.25 g/mol
• Formule: C₁₀H₉NO₂S
• Degré de pureté: Min. 95%
• InChI: InChI=1S/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H3
• Code InChI: InChIKey=MLOJHUCMCKBDLV-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1ccc(N=C=S)cc1