94-12-2 Purity
96%
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The molecular formula of the compound is C19H18O2S.
The weight of the compound is 310.4 g/mol.
The IUPAC name of the compound is 2-methoxy-3-(3-methylphenyl)-5-(phenylsulfanylmethyl)furan.
The InChI of the compound is InChI=1S/C19H18O2S/c1-14-7-6-8-15(11-14)18-12-16(21-19(18)20-2)13-22-17-9-4-3-5-10-17/h3-12H,13H2,1-2H3.
The InChIKey of the compound is LUUJDLCZMHJXSL-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC1=CC(=CC=C1)C2=C(OC(=C2)CSC3=CC=CC=C3)OC.
The CAS number of the compound is 941270-43-5.
The XLogP3-AA value of the compound is 5.3.
The compound has 0 hydrogen bond donor counts.
The compound has 3 hydrogen bond acceptor counts.