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3-METHYL-1,4-THIAZANE;MAJOR_CONFORMATION_2
SpectraBase Compound ID E0hoEyGeVaG
InChI InChI=1S/C5H11NS/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKey MHHCLPHGZOISFK-RXMQYKEDSA-N
Mol Weight 117.21 g/mol
Molecular Formula C5H11NS
Exact Mass 117.061221 g/mol
Enantiomer InChIKey MHHCLPHGZOISFK-YFKPBYRVSA-N
Racemate InChIKey MHHCLPHGZOISFK-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2
Title Journal or Book Year
Conformational analysis of methylthiazanes: the problem of the methyl-carbon-nitrogen-methyl gauche interaction The Journal of Organic Chemistry 1993

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