566-26-7 Purity
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Specification
The molecular formula of Spi-115 is C9H16N4OS.
The molecular weight of Spi-115 is 228.32 g/mol.
The IUPAC name of Spi-115 is 6-tert-butyl-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one.
The InChI of Spi-115 is InChI=1S/C9H16N4OS/c1-9(2,3)6-7(14)13(10-4)8(15-5)12-11-6/h10H,1-5H3.
The InChIKey of Spi-115 is JBFWXRSTOLHNFZ-UHFFFAOYSA-N.
The Canonical SMILES of Spi-115 is CC(C)(C)C1=NN=C(N(C1=O)NC)SC.
The CAS number of Spi-115 is 56742-45-1.
The XLogP3 value of Spi-115 is 2.2.
Spi-115 has 1 hydrogen bond donor count.
Yes, Spi-115 is a covalently-bonded unit.