29216-28-2 Purity
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Specification
The molecular formula of 2,2-Thiobis(4-methylphenol) is C14H14O2S.
The molecular weight of 2,2-Thiobis(4-methylphenol) is 246.33 g/mol.
The IUPAC name of 2,2-Thiobis(4-methylphenol) is 2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol.
The InChI of 2,2-Thiobis(4-methylphenol) is InChI=1S/C14H14O2S/c1-9-3-5-11(15)13(7-9)17-14-8-10(2)4-6-12(14)16/h3-8,15-16H,1-2H3.
The InChIKey of 2,2-Thiobis(4-methylphenol) is CHNWLKJYOVQXOG-UHFFFAOYSA-N.
The canonical SMILES of 2,2-Thiobis(4-methylphenol) is CC1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C)O.
The ChEMBL ID of 2,2-Thiobis(4-methylphenol) is CHEMBL1336664.
The XLogP3-AA of 2,2-Thiobis(4-methylphenol) is 4.
2,2-Thiobis(4-methylphenol) has 2 hydrogen bond donor counts.