90346-64-8 Purity
96%
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Specification
The molecular formula of 2(3H)-Benzothiazolone,5-acetyl-(9CI) is C9H7NO2S.
Some synonyms for 2(3H)-Benzothiazolone,5-acetyl-(9CI) include 5-Acetylbenzo[d]thiazol-2(3H)-one, 5-ACETYL-3H-1,3-BENZOTHIAZOL-2-ONE, and 5-Acetyl-1,3-benzothiazol-2(3H)-one.
The compound was created on February 9, 2007.
The IUPAC name of 2(3H)-Benzothiazolone,5-acetyl-(9CI) is 5-acetyl-3H-1,3-benzothiazol-2-one.
The InChI of 2(3H)-Benzothiazolone,5-acetyl-(9CI) is InChI=1S/C9H7NO2S/c1-5(11)6-2-3-8-7(4-6)10-9(12)13-8/h2-4H,1H3,(H,10,12).
The Canonical SMILES of 2(3H)-Benzothiazolone,5-acetyl-(9CI) is CC(=O)C1=CC2=C(C=C1)SC(=O)N2.
The molecular weight of 2(3H)-Benzothiazolone,5-acetyl-(9CI) is 193.22 g/mol.
Yes, the compound is canonicalized.
There is 1 hydrogen bond donor count in 2(3H)-Benzothiazolone,5-acetyl-(9CI).
The topological polar surface area of 2(3H)-Benzothiazolone,5-acetyl-(9CI) is 71.5 Ų.