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The molecular formula is C7H12N2O2S.
The molecular weight is 188.25 g/mol.
The IUPAC name is 1-(2-methylsulfanylethyl)piperazine-2,5-dione.
The InChI is InChI=1S/C7H12N2O2S/c1-12-3-2-9-5-6(10)8-4-7(9)11/h2-5H2,1H3,(H,8,10).
The InChIKey is SAVNNFDCALBHFJ-UHFFFAOYSA-N.
The canonical SMILES is CSCCN1CC(=O)NCC1=O.
The CAS number is 97605-73-7.
The XLogP3-AA value is -0.5.
The compound has 1 hydrogen bond donor count.
The compound has 3 rotatable bond count.
975995
97602-72-7
97605-56-6
97606-39-8
97608-11-2
97608-49-6
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