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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N2O3S
Molecular Weight 268.332
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-(((1,2-BENZISOTHIAZOL-3-YLOXY)METHYL)IMINO)BISETHANOL

SMILES

OCCN(CCO)COC1=NSC2=CC=CC=C12

InChI

InChIKey=XNVDNLONLAEARB-UHFFFAOYSA-N
InChI=1S/C12H16N2O3S/c15-7-5-14(6-8-16)9-17-12-10-3-1-2-4-11(10)18-13-12/h1-4,15-16H,5-9H2

HIDE SMILES / InChI

Molecular Formula C12H16N2O3S
Molecular Weight 268.332
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 12:41:36 GMT 2023
Edited
by admin
on Sat Dec 16 12:41:36 GMT 2023
Record UNII
HC3LAM6UP2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2'-(((1,2-BENZISOTHIAZOL-3-YLOXY)METHYL)IMINO)BISETHANOL
Systematic Name English
ETHANOL, 2,2'-(((1,2-BENZISOTHIAZOL-3-YLOXY)METHYL)IMINO)BIS-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50240419
Created by admin on Sat Dec 16 12:41:36 GMT 2023 , Edited by admin on Sat Dec 16 12:41:36 GMT 2023
PRIMARY
PUBCHEM
53422708
Created by admin on Sat Dec 16 12:41:36 GMT 2023 , Edited by admin on Sat Dec 16 12:41:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
301-926-0
Created by admin on Sat Dec 16 12:41:36 GMT 2023 , Edited by admin on Sat Dec 16 12:41:36 GMT 2023
PRIMARY
FDA UNII
HC3LAM6UP2
Created by admin on Sat Dec 16 12:41:36 GMT 2023 , Edited by admin on Sat Dec 16 12:41:36 GMT 2023
PRIMARY
CAS
94087-32-8
Created by admin on Sat Dec 16 12:41:36 GMT 2023 , Edited by admin on Sat Dec 16 12:41:36 GMT 2023
PRIMARY