95598-13-3 Purity
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Specification
The molecular formula is C9H10N2O4S2.
It was first created on 2005-08-08 and last modified on 2023-12-30.
The IUPAC name is 6-(2-hydroxyethoxy)-1,3-benzothiazole-2-sulfonamide.
The InChI is InChI=1S/C9H10N2O4S2/c10-17(13,14)9-11-7-2-1-6(15-4-3-12)5-8(7)16-9/h1-2,5,12H,3-4H2,(H2,10,13,14).
The InChIKey is XIFUCWWEBDMYEV-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC2=C(C=C1OCCO)SC(=N2)S(=O)(=O)N.
The molecular weight is 274.3 g/mol.
The compound has 2 hydrogen bond donor counts.
The topological polar surface area is 139 Ų.
Yes, the compound is canonicalized according to PubChem.