CAS
99216-79-2 Purity
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99216-79-2 Purity
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Specification
The molecular formula is C4H7NO2S.
The molecular weight is 133.17 g/mol.
The IUPAC name is 3-methyl-1-oxo-1,3-thiazolidin-4-one.
The Canonical SMILES is CN1CS(=O)CC1=O.
The InChI is InChI=1S/C4H7NO2S/c1-5-3-8(7)2-4(5)6/h2-3H2,1H3.
The InChIKey is WGULSFYYFXCYJS-UHFFFAOYSA-N.
There are 0 hydrogen bond donor counts.
There are 3 hydrogen bond acceptor counts.
The XLogP3-AA value is -1.2.
Yes, 4-Thiazolidinone,3-methyl-,1-oxide(9ci) is a canonicalized compound.