Vitas-M small molecule compound

2-(4-acetylphenyl)-1-cyanoethyl thiocyanate

Catalog ID
STL021381
SMILES N#CC(Cc1ccc(cc1)C(=O)C)SC#N

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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 C12H10N2OS MW 230.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N2OS/c1-9(15)11-4-2-10(3-5-11)6-12(7-13)16-8-14/h2-5,12H,6H2,1H3
InChIKey
NDEDWOSIWTWBCM-UHFFFAOYSA-N
Synonyms
676640-80-5
(2(4acetylphenyl)1cyanoethyl)thiocyanate
2(4acetylphenyl)1cyanoethylthiocyanate
3(4ACETYLPHENYL)2CYANOTHIOPROPANENITRILE
676640805
CC(=O)C1=CC=C(C=C1)CC(C#N)SC#N
InChI=1SC12H10N2OSc19(15)114210(3511)612(713)16814h2512H6H21H3
MFCD04055705
ZINC000002784860
ZINC000005235377

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Available files

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