CAS
629-87-8 Purity
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629-87-8 Purity
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Specification
The molecular formula is C13H12OS.
The molecular weight is 216.30 g/mol.
The IUPAC name is (4-phenylsulfanylphenyl)methanol.
The InChI is InChI=1S/C13H12OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2.
The InChIKey is PGOAWMRWDZJQTB-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)SC2=CC=C(C=C2)CO.
The CAS number is 6317-56-2.
The EC number is 228-658-6.
The UNII is TMD9BW7WU5.
The hydrogen bond donor count is 1.