Vitas-M small molecule compound

methyl 3-phenyl-2-thiocyanatopropanoate

Catalog ID
STL357238
SMILES COC(=O)C(Cc1ccccc1)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 C11H11NO2S MW 221.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11NO2S/c1-14-11(13)10(15-8-12)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKey
LIZYKUWCTWWSBG-UHFFFAOYSA-N
Synonyms

COC(=O)C(CC1=CC=CC=C1)SC#N
InChI=1SC11H11NO2Sc11411(13)10(15812)79532469h2610H7H21H3
METHYL2CYANOTHIO3PHENYLPROPANOATE
methyl3phenyl2thiocyanatopropanoate
MFCD00656610
ZINC000000568069
ZINC000000568070

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Available files

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