CAS
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Specification
The molecular formula is C9H12O2S.
The molecular weight is 184.26 g/mol.
The IUPAC name is 2-(2-methoxyphenyl)sulfanylethanol.
The InChI code is InChI=1S/C9H12O2S/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5,10H,6-7H2,1H3.
The InChIKey is RCFKBAONIIUPAU-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC=CC=C1SCCO.
The CAS number is 13290-20-5.
The XLogP3-AA value is 1.7.
It has one hydrogen bond donor count.
It has four rotatable bond counts.