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Ethyl 4-isothiocyanatobenzoate
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Ethyl 4-isothiocyanatobenzoate

CAS: 1205-06-7

Ref. 3D-FE112196

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500mgTo inquire
Estimated delivery in United States, on Tuesday 18 Feb 2025

Product Information

Name:
Ethyl 4-isothiocyanatobenzoate
Synonyms:
  • 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.

Notice:
Our products are intended for lab use only. For any other use, please contact us.
Brand:
Biosynth
Long term storage:
Notes:

Chemical properties

Molecular weight:
207.25 g/mol
Formula:
C10H9NO2S
Purity:
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
InChI key:
InChIKey=MLOJHUCMCKBDLV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(N=C=S)cc1
MDL:
Melting point:
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Density:
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EINECS:
Merck:
HS code:

Hazard Info

UN Number:
EQ:
Class:
H Statements:
P Statements:
Forbidden to fly:
Hazard Info:
Packing Group:
LQ:

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