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Specification
The molecular formula of 2-(2-Chlorophenoxy)ethanethioamide is C8H8ClNOS.
The molecular weight of 2-(2-Chlorophenoxy)ethanethioamide is 201.67 g/mol.
2-(2-Chlorophenoxy)ethanethioamide was created in PubChem on 2005-03-27.
The InChI of 2-(2-Chlorophenoxy)ethanethioamide is InChI=1S/C8H8ClNOS/c9-6-3-1-2-4-7(6)11-5-8(10)12/h1-4H,5H2,(H2,10,12).
The Canonical SMILES of 2-(2-Chlorophenoxy)ethanethioamide is C1=CC=C(C(=C1)OCC(=S)N)Cl.
The property name is "Hydrogen Bond Donor Count" with a value of 1.
The topological polar surface area of 2-(2-Chlorophenoxy)ethanethioamide is 67.3Ų.
2-(2-Chlorophenoxy)ethanethioamide has 3 rotatable bond counts.
The XLogP3 value of 2-(2-Chlorophenoxy)ethanethioamide is 1.8.
Yes, the compound is canonicalized in PubChem.