Vitas-M small molecule compound

ethyl 4-isothiocyanatobenzoate

Catalog ID
STK301814
SMILES CCOC(=O)c1ccc(cc1)N=C=S

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C10H9NO2S MW 207.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H3
InChIKey
MLOJHUCMCKBDLV-UHFFFAOYSA-N
Synonyms
1205-06-7
1205067
4(ETHOXYCARBONYL)PHENYLISOTHIOCYANATE
4CARBOETHOXYPHENYLISOTHIOCYANATE
4ETHOXYCARBONYLPHENYLISOTHIOCYANATE
4ISOTHIOCYANATOBENZOICACIDETHYLESTER
BENZOICACID4ISOTHIOCYANATOETHYLESTER
CCOC(=O)C1=CC=C(C=C1)N=C=S
ethyl4isothiocyanatobenzoate
ETHYLPISOTHIOCYANATOBENZOATE
InChI=1SC10H9NO2Sc121310(12)8359(648)11714h36H2H21H3
MFCD00022058
PHENYLISOTHIOCYANATE4ETHOXYCARBONYL
ZINC000000167288
ZINC00167288
ZINC167288

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.