Vitas-M small molecule compound

1-ethoxy-4-isothiocyanatobenzene

Catalog ID
STK315328
SMILES CCOc1ccc(cc1)N=C=S

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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 C9H9NOS MW 179.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H3
InChIKey
REEKOMRZYJXXNR-UHFFFAOYSA-N
Synonyms
3460-49-9
1ethoxy4isothiocyanatobenzene
1ISOTHIOCYANATO4ETHOXYBENZENE
3460499
4ETHOXYBENZENISOTHIOCYANATE
4ETHOXYPHENYLISOTHIOCYANATE
4ISOTHIOCYANATOPHENETOL
BENZENE1ETHOXY4ISOTHIOCYANATO
CCOC1=CC=C(C=C1)N=C=S
InChI=1SC9H9NOSc12119538(469)10712h36H2H21H3
MFCD00041096
PETHOXYPHENYLISOTHIOCYANATE
PHENYLISOTHIOCYANATE4ETHOXY
ZINC000000164741
ZINC00164741
ZINC164741

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Available files

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