937-05-3 Purity
>98.0%(GC)
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Specification
The molecular formula is C3H7ClS.
The synonyms are 2-Chloroethyl-d4 methyl sulfide, 93709-60-5, 1-chloro-1,1,2,2-tetradeuterio-2-methylsulfanylethane, and 1-chloro-2-(methylsulfanyl)(?H?)ethane.
The molecular weight is 114.63 g/mol.
It was created on February 16, 2015, and last modified on December 30, 2023.
The IUPAC name is 1-chloro-1,1,2,2-tetradeuterio-2-methylsulfanylethane.
The InChI is InChI=1S/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3/i2D2,3D2.
The InChIKey is MYFKLQFBFSHBPA-RRVWJQJTSA-N.
The canonical SMILES is CSCCCl.
The isomeric SMILES is [2H]C([2H])(C([2H])([2H])Cl)SC.
The XLogP3-AA value is 1.5.