89978-25-6 Purity
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The molecular formula of 4(1H)-Quinolinone,3-acetyl-2-(methylthio)-8-(phenylsulfonyl)- is C18H15NO4S2.
The molecular weight of 4(1H)-Quinolinone,3-acetyl-2-(methylthio)-8-(phenylsulfonyl)- is 373.4 g/mol.
The IUPAC name of 4(1H)-Quinolinone,3-acetyl-2-(methylthio)-8-(phenylsulfonyl)- is 3-acetyl-8-(benzenesulfonyl)-2-methylsulfanyl-1H-quinolin-4-one.
The InChI of 4(1H)-Quinolinone,3-acetyl-2-(methylthio)-8-(phenylsulfonyl)- is InChI=1S/C18H15NO4S2/c1-11(20)15-17(21)13-9-6-10-14(16(13)19-18(15)24-2)25(22,23)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,19,21).
The InChIKey of 4(1H)-Quinolinone,3-acetyl-2-(methylthio)-8-(phenylsulfonyl)- is XKJFZJYNUMFWNV-UHFFFAOYSA-N.
The canonical SMILES of 4(1H)-Quinolinone,3-acetyl-2-(methylthio)-8-(phenylsulfonyl)- is CC(=O)C1=C(NC2=C(C1=O)C=CC=C2S(=O)(=O)C3=CC=CC=C3)SC.
The XLogP3-AA value of 4(1H)-Quinolinone,3-acetyl-2-(methylthio)-8-(phenylsulfonyl)- is 3.
There is 1 hydrogen bond donor count in 4(1H)-Quinolinone,3-acetyl-2-(methylthio)-8-(phenylsulfonyl)-.
There are 6 hydrogen bond acceptor counts in 4(1H)-Quinolinone,3-acetyl-2-(methylthio)-8-(phenylsulfonyl)-.
There are 4 rotatable bond counts in 4(1H)-Quinolinone,3-acetyl-2-(methylthio)-8-(phenylsulfonyl)-.