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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H11F3N2O3S
Molecular Weight 296.266
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-DIHYDRO-7-(TRIFLUOROMETHYL)-4H-1,2,4-BENZOTHIADIAZINE-4-ETHANOL 1,1-DIOXIDE

SMILES

OCCN1CNS(=O)(=O)C2=C1C=CC(=C2)C(F)(F)F

InChI

InChIKey=OAPYSZQSGQYCSZ-UHFFFAOYSA-N
InChI=1S/C10H11F3N2O3S/c11-10(12,13)7-1-2-8-9(5-7)19(17,18)14-6-15(8)3-4-16/h1-2,5,14,16H,3-4,6H2

HIDE SMILES / InChI

Molecular Formula C10H11F3N2O3S
Molecular Weight 296.266
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 12:07:32 GMT 2023
Edited
by admin
on Sat Dec 16 12:07:32 GMT 2023
Record UNII
A3DN7EZR2Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-DIHYDRO-7-(TRIFLUOROMETHYL)-4H-1,2,4-BENZOTHIADIAZINE-4-ETHANOL 1,1-DIOXIDE
Systematic Name English
4H-1,2,4-BENZOTHIADIAZINE-4-ETHANOL, 2,3-DIHYDRO-7-(TRIFLUOROMETHYL)-, 1,1-DIOXIDE
Systematic Name English
2-(1,1-DIOXO-7-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1.LAMBDA.6,2,4-BENZOTHIADIAZIN-4-YL)ETHANOL
Systematic Name English
Code System Code Type Description
FDA UNII
A3DN7EZR2Q
Created by admin on Sat Dec 16 12:07:32 GMT 2023 , Edited by admin on Sat Dec 16 12:07:32 GMT 2023
PRIMARY
CAS
1789-84-0
Created by admin on Sat Dec 16 12:07:32 GMT 2023 , Edited by admin on Sat Dec 16 12:07:32 GMT 2023
PRIMARY
PUBCHEM
74521
Created by admin on Sat Dec 16 12:07:32 GMT 2023 , Edited by admin on Sat Dec 16 12:07:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-256-6
Created by admin on Sat Dec 16 12:07:32 GMT 2023 , Edited by admin on Sat Dec 16 12:07:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID60170612
Created by admin on Sat Dec 16 12:07:32 GMT 2023 , Edited by admin on Sat Dec 16 12:07:32 GMT 2023
PRIMARY