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Specification
The molecular formula of 3,4-Dichlorophenylthioethanol is C8H8Cl2OS.
The molecular weight of 3,4-Dichlorophenylthioethanol is 223.12 g/mol.
3,4-Dichlorophenylthioethanol was created on July 19, 2005.
The IUPAC name of 3,4-Dichlorophenylthioethanol is 2-(3,4-dichlorophenyl)sulfanylethanol.
The InChI of 3,4-Dichlorophenylthioethanol is InChI=1S/C8H8Cl2OS/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5,11H,3-4H2.
The InChIKey of 3,4-Dichlorophenylthioethanol is BWRURDYHPUVXMI-UHFFFAOYSA-N.
The canonical SMILES of 3,4-Dichlorophenylthioethanol is C1=CC(=C(C=C1SCCO)Cl)Cl.
The XLogP3 value of 3,4-Dichlorophenylthioethanol is 3.2.
3,4-Dichlorophenylthioethanol has 1 hydrogen bond donor count.
3,4-Dichlorophenylthioethanol has 2 hydrogen bond acceptor counts.