937-55-3 Purity
96%
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The molecular formula is C9H12OS.
The molecular weight is 168.26 g/mol.
The IUPAC name is 1-phenylsulfanylpropan-2-ol.
The InChI is InChI=1S/C9H12OS/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3.
The InChIKey is LMWDPYSNDDVIAD-UHFFFAOYSA-N.
The canonical SMILES is CC(CSC1=CC=CC=C1)O.
The synonyms are 2-Propanol, 1-phenylthio-; 937-56-4; 1-Phenylthio-2-propanol; 1-(phenylthio)propan-2-ol; 2-Propanol, 1-(phenylthio)-, and more.
The CAS number is 937-56-4.
The compound has 1 hydrogen bond donor count.
The compound has 3 rotatable bond counts.