Vitas-M small molecule compound

1-(3-isothiocyanatophenyl)ethanone

Catalog ID
STK500355
SMILES S=C=Nc1cccc(c1)C(=O)C

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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 C9H7NOS MW 177.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H7NOS/c1-7(11)8-3-2-4-9(5-8)10-6-12/h2-5H,1H3
InChIKey
RGANVWCPAAIVNN-UHFFFAOYSA-N
Synonyms
3125-71-1
1(3ISOTHIOCYANATOPHENYL)ETHAN1ONE
1(3isothiocyanatophenyl)ethanone
3125711
3ACETYLBENZENISOTHIOCYANATE
3ACETYLPHENYLISOTHIOCYANATE
3ISOTHIOCYANATOACETOPHENONE
3METHYLCARBONYLPHENYLISOTHIOCYANATE
CC(=O)C1=CC(=CC=C1)N=C=S
ETHANONE1(3ISOTHIOCYANATOPHENYL)
InChI=1SC9H7NOSc17(11)83249(58)10612h25H1H3
MFCD00041081
ZINC000002168492
ZINC02168492
ZINC2168492

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Available files

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