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The molecular formula of 1-(2-Isothiocyanatoethyl)-4-methoxybenzene is C10H11NOS.
The molecular weight of 1-(2-Isothiocyanatoethyl)-4-methoxybenzene is 193.27 g/mol.
The IUPAC name of 1-(2-Isothiocyanatoethyl)-4-methoxybenzene is 1-(2-isothiocyanatoethyl)-4-methoxybenzene.
The InChI of 1-(2-Isothiocyanatoethyl)-4-methoxybenzene is InChI=1S/C10H11NOS/c1-12-10-4-2-9(3-5-10)6-7-11-8-13/h2-5H,6-7H2,1H3.
The InChIKey of 1-(2-Isothiocyanatoethyl)-4-methoxybenzene is JIZVGEJTLPEYLM-UHFFFAOYSA-N.
The canonical SMILES of 1-(2-Isothiocyanatoethyl)-4-methoxybenzene is COC1=CC=C(C=C1)CCN=C=S.
The CAS number of 1-(2-Isothiocyanatoethyl)-4-methoxybenzene is 17427-37-1.
1-(2-Isothiocyanatoethyl)-4-methoxybenzene has 3 hydrogen bond acceptor counts.
1-(2-Isothiocyanatoethyl)-4-methoxybenzene has 4 rotatable bond counts.
154150-18-2
1579-40-4
1706-11-2
195314-59-1
19578-68-8
202752-04-3
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