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The molecular formula is C12H9NOS.
The molecular weight is 215.27 g/mol.
The IUPAC name is 6-prop-2-enoxy-1-benzothiophene-2-carbonitrile.
The InChI is InChI=1S/C12H9NOS/c1-2-5-14-10-4-3-9-6-11(8-13)15-12(9)7-10/h2-4,6-7H,1,5H2.
The InChIKey is GLEBTYYMGQNLLB-UHFFFAOYSA-N.
The canonical SMILES is C=CCOC1=CC2=C(C=C1)C=C(S2)C#N.
The XLogP3-AA value is 3.6.
The compound has 0 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor count.
The compound has 3 rotatable bond count.
947586-41-6
947586-93-8
947590-61-6
947590-65-0
947592-41-8
947598-69-8
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