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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9NO3S
Molecular Weight 223.248
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

SMILES

C=CCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChIKey=PCEMJUSXPJQKDP-UHFFFAOYSA-N
InChI=1S/C10H9NO3S/c1-2-7-11-10(12)8-5-3-4-6-9(8)15(11,13)14/h2-6H,1,7H2

HIDE SMILES / InChI

Molecular Formula C10H9NO3S
Molecular Weight 223.248
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 Sat Dec 16 13:09:28 GMT 2023
Edited
by admin
on Sat Dec 16 13:09:28 GMT 2023
Record UNII
24Z9TR39CM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Systematic Name English
1,2-Benzisothiazol-3(2H)-one, 2-(2-propenyl)-, 1,1-dioxide
Systematic Name English
1,2-Benzisothiazol-3(2H)-one, 2-(2-propen-1-yl)-, 1,1-dioxide
Systematic Name English
NSC-39122
Code English
AI3-04135
Code English
Code System Code Type Description
CAS
41335-56-2
Created by admin on Sat Dec 16 13:09:28 GMT 2023 , Edited by admin on Sat Dec 16 13:09:28 GMT 2023
PRIMARY
NSC
39122
Created by admin on Sat Dec 16 13:09:28 GMT 2023 , Edited by admin on Sat Dec 16 13:09:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID20194298
Created by admin on Sat Dec 16 13:09:28 GMT 2023 , Edited by admin on Sat Dec 16 13:09:28 GMT 2023
PRIMARY
FDA UNII
24Z9TR39CM
Created by admin on Sat Dec 16 13:09:28 GMT 2023 , Edited by admin on Sat Dec 16 13:09:28 GMT 2023
PRIMARY
PUBCHEM
95840
Created by admin on Sat Dec 16 13:09:28 GMT 2023 , Edited by admin on Sat Dec 16 13:09:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-322-6
Created by admin on Sat Dec 16 13:09:28 GMT 2023 , Edited by admin on Sat Dec 16 13:09:28 GMT 2023
PRIMARY