F16

5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE

Created: 2006-05-04
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of F16
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Chemical Component Summary

Name5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE
Systematic Name (OpenEye OEToolkits)5-(3-hydroxyphenyl)-1,1-dioxo-1,2-thiazol-3-one
FormulaC9 H7 N O4 S
Molecular Weight225.221
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C2C=C(c1cccc(O)c1)S(=O)(=O)N2
SMILESCACTVS3.341Oc1cccc(c1)C2=CC(=O)N[S]2(=O)=O
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O
Canonical SMILESCACTVS3.341 Oc1cccc(c1)C2=CC(=O)N[S]2(=O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O
InChIInChI1.03 InChI=1S/C9H7NO4S/c11-7-3-1-2-6(4-7)8-5-9(12)10-15(8,13)14/h1-5,11H,(H,10,12)
InChIKeyInChI1.03 FJABEDRGNJSWCC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07730 
Name5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE
Groups experimental
Synonyms5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE

Drug Targets

NameTarget SequencePharmacological ActionActions
Tyrosine-protein phosphatase non-receptor type 1MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 10062718