Vitas-M small molecule compound
5-isothiocyanato-1,3-benzodioxole
Catalog ID
STK501677
SMILES S=C=Nc1ccc2c(c1)OCO2
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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 C8H5NO2S MW 179.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H5NO2S/c12-4-9-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2InChIKey
UVVSPZKAEJHDCY-UHFFFAOYSA-NSynonyms
113504-93-1113504931
13BENZODIOXOL5YLISOTHIOCYANATE
13BENZODIOXOLE5ISOTHIOCYANATO
13BENZODIOXOLE5YLISOTHIOCYANATE
2HBENZO(D)13DIOXOLEN5ISOTHIOCYANATE
34(METHYLENEDIOXY)PHENYLISOTHIOCYANATE
34METHYLENDIOXYPHENYLISOTHIOCYANATE
34METHYLENEDIOXOPHENYLISOTHIOCYANATE
34METHYLENEDIOXYPHENYLISOTHIOCYANATE
5isothiocyanato13benzodioxole
5ISOTHIOCYANATO2H13BENZODIOXOLE
5ISOTHIOCYANATOBENZO(13)DIOXOLE
5ISOTHIOCYANATOBENZO(D)(13)DIOXOLE
C1OC2=C(O1)C=C(C=C2)N=C=S
InChI=1SC8H5NO2Sc124961278(36)115107h13H5H2
MFCD00066321
ZINC000000158543
ZINC00158543
ZINC158543
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