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Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO4S
Molecular Weight 225.221
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE

SMILES

OC1=CC=CC(=C1)C2=CC(=O)NS2(=O)=O

InChI

InChIKey=FJABEDRGNJSWCC-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C9H7NO4S
Molecular Weight 225.221
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:00:31 GMT 2025
Edited
by admin
on Wed Apr 02 08:00:31 GMT 2025
Record UNII
832C81WLO3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3(2H)-ISOTHIAZOLONE, 5-(3-HYDROXYPHENYL)-, 1,1-DIOXIDE
Preferred Name English
5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE
Systematic Name English
5-(3-HYDROXYPHENYL)-1,1-DIOXO-1,2-DIHYDROISOTHIAZOL-3-ONE
Systematic Name English
5-(3-HYDROXYPHENYL)-1,1-BIS(OXIDANYLIDENE)-1,2-THIAZOL-3-ONE
Systematic Name English
Code System Code Type Description
CAS
850314-30-6
Created by admin on Wed Apr 02 08:00:31 GMT 2025 , Edited by admin on Wed Apr 02 08:00:31 GMT 2025
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EPA CompTox
DTXSID90435044
Created by admin on Wed Apr 02 08:00:31 GMT 2025 , Edited by admin on Wed Apr 02 08:00:31 GMT 2025
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FDA UNII
832C81WLO3
Created by admin on Wed Apr 02 08:00:31 GMT 2025 , Edited by admin on Wed Apr 02 08:00:31 GMT 2025
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PUBCHEM
10062718
Created by admin on Wed Apr 02 08:00:31 GMT 2025 , Edited by admin on Wed Apr 02 08:00:31 GMT 2025
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