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The molecular formula is C8H11NS.
The molecular weight is 153.25 g/mol.
The IUPAC name is N-(methylsulfanylmethyl)aniline.
The InChI is InChI=1S/C8H11NS/c1-10-7-9-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
The InChIKey is AVTORQFIRUDRMD-UHFFFAOYSA-N.
The canonical SMILES is CSCNC1=CC=CC=C1.
The CAS number is 98499-59-3.
The UNII is 9ZSF0DJ08J.
The hydrogen bond donor count is 1.
Yes, N-(methylsulfanylmethyl)aniline is canonicalized.
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