U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO4S
Molecular Weight 227.237
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-Hydroxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one

SMILES

OCCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChIKey=CJWAPCSQEWUZAE-UHFFFAOYSA-N
InChI=1S/C9H9NO4S/c11-6-5-10-9(12)7-3-1-2-4-8(7)15(10,13)14/h1-4,11H,5-6H2

HIDE SMILES / InChI

Molecular Formula C9H9NO4S
Molecular Weight 227.237
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 Tue Apr 01 20:20:16 GMT 2025
Edited
by admin
on Tue Apr 01 20:20:16 GMT 2025
Record UNII
SH8P8G7KTE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-Hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Preferred Name English
2-(2-Hydroxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
Systematic Name English
1,2-Benzisothiazolin-3-one, 2-(2-hydroxyethyl)-, 1,1-dioxide
Systematic Name English
1,2-Benzisothiazol-3(2H)-one, 2-(2-hydroxyethyl)-, 1,1-dioxide
Systematic Name English
2-(2-Hydroxyethyl)-1,2-benzisothiazole-3(2H)one 1,1-dioxide
Systematic Name English
NSC-49755
Code English
Code System Code Type Description
NSC
49755
Created by admin on Tue Apr 01 20:20:16 GMT 2025 , Edited by admin on Tue Apr 01 20:20:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID40212847
Created by admin on Tue Apr 01 20:20:16 GMT 2025 , Edited by admin on Tue Apr 01 20:20:16 GMT 2025
PRIMARY
CAS
6343-81-3
Created by admin on Tue Apr 01 20:20:16 GMT 2025 , Edited by admin on Tue Apr 01 20:20:16 GMT 2025
PRIMARY
PUBCHEM
80658
Created by admin on Tue Apr 01 20:20:16 GMT 2025 , Edited by admin on Tue Apr 01 20:20:16 GMT 2025
PRIMARY
FDA UNII
SH8P8G7KTE
Created by admin on Tue Apr 01 20:20:16 GMT 2025 , Edited by admin on Tue Apr 01 20:20:16 GMT 2025
PRIMARY
ECHA (EC/EINECS)
228-743-8
Created by admin on Tue Apr 01 20:20:16 GMT 2025 , Edited by admin on Tue Apr 01 20:20:16 GMT 2025
PRIMARY