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975995 Purity
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975995 Purity
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2,5-Piperazinedione,3-[2-(methylthio)ethyl]-(9ci)
CAS
97605-73-7
Catalog Number
ACM97605737
Category
Other Products
Molecular Formula
C7H12N2O2S
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Specification
Synonyms
2,5-Piperazinedione,3-[2-(methylthio)ethyl]-(9CI);1-[2-(METHYLSULFANYL)ETHYL]PIPERAZINE-2,5-DIONE
What is the molecular formula of the compound?
The molecular formula is C7H12N2O2S.
What is the molecular weight of the compound?
The molecular weight is 188.25 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-(2-methylsulfanylethyl)piperazine-2,5-dione.
What is the InChI of the compound?
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).
What is the InChIKey of the compound?
The InChIKey is SAVNNFDCALBHFJ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CSCCN1CC(=O)NCC1=O.
What is the CAS number of the compound?
The CAS number is 97605-73-7.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is -0.5.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond count does the compound have?
The compound has 3 rotatable bond count.
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