Vitas-M small molecule compound
methyl 4-isothiocyanatobenzoate
Catalog ID
STK801404
SMILES S=C=Nc1ccc(cc1)C(=O)OC
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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 C9H7NO2S MW 193.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3InChIKey
WIZODHILGBTPPA-UHFFFAOYSA-NSynonyms
3662-78-03662780
4(METHOXYCARBONYL)PHENYLISOTHIOCYANATE
4ISOTHIOCYANATOBENZOICACIDMETHYLESTER
4METHOXYCARBONYLPHENYLISOTHIOCYANATE
BENZOICACID4ISOTHIOCYANATOMETHYLESTER
COC(=O)C1=CC=C(C=C1)N=C=S
InChI=1SC9H7NO2Sc1129(11)7248(537)10613h25H1H3
methyl4isothiocyanatobenzoate
MFCD00041099
ZINC000004267792
ZINC04267792
ZINC4267792
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