911836-38-9 Purity
96%
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Specification
The molecular formula of Iflab-bb f0820-0242 is C6H6N4OS.
Iflab-bb f0820-0242 was created on 2019-01-15 and last modified on 2023-12-30.
The IUPAC name of Iflab-bb f0820-0242 is 5-methyl-3-sulfanylidene-2,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-7-one.
The InChI of Iflab-bb f0820-0242 is InChI=1S/C6H6N4OS/c1-3-2-4(11)7-5-8-9-6(12)10(3)5/h2H,1H3,(H,9,12)(H,7,8,11).
The InChIKey of Iflab-bb f0820-0242 is HCODANNGUOSOCH-UHFFFAOYSA-N.
The Canonical SMILES of Iflab-bb f0820-0242 is CC1=CC(=O)NC2=NNC(=S)N12.
The molecular weight of Iflab-bb f0820-0242 is 182.21 g/mol.
Iflab-bb f0820-0242 has 2 hydrogen bond donor counts.
The XLogP3-AA value of Iflab-bb f0820-0242 is -0.2.
Yes, Iflab-bb f0820-0242 is a canonicalized compound according to PubChem.