Vitas-M small molecule compound

1-isothiocyanato-2,4-dimethylbenzene

Catalog ID
STK299987
SMILES S=C=Nc1ccc(cc1C)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 C9H9NS MW 163.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9NS/c1-7-3-4-9(10-6-11)8(2)5-7/h3-5H,1-2H3
InChIKey
HOHSBFCSOARUBF-UHFFFAOYSA-N
Synonyms
39842-01-8
1ISOTHIOCYANATO24DIMETHYLBENZENE
24DIMETHYL1ISOTHIOCYANATOBENZENE
24DIMETHYLBENZENISOTHIOCYANATE
24DIMETHYLISOTHIOCYANATOBENZENE
24DIMETHYLPHENYLISOTHIOCYANATE
39842018
4ISOTHIOCYANATOMXYLENE
BENZENE1ISOTHIOCYANATO24DIMETHYL
CC1=CC(=C(C=C1)N=C=S)C
InChI=1SC9H9NSc17349(10611)8(2)57h35H12H3
MFCD00022054
XYLYLISOTHIOCYANATE
ZINC000000164711
ZINC00164711
ZINC164711

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Available files

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