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Details

Stereochemistry ACHIRAL
Molecular Formula C14H7F3OS
Molecular Weight 280.265
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Trifluoromethyl)thioxanthen-9-one

SMILES

FC(F)(F)C1=CC=C2SC3=C(C=CC=C3)C(=O)C2=C1

InChI

InChIKey=NEWRXGDGZGIHIS-UHFFFAOYSA-N
InChI=1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H

HIDE SMILES / InChI

Molecular Formula C14H7F3OS
Molecular Weight 280.265
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 19:50:17 UTC 2023
Edited
by admin
on Sat Dec 16 19:50:17 UTC 2023
Record UNII
7J4R9HK2QN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Trifluoromethyl)thioxanthen-9-one
Systematic Name English
9H-Thioxanthen-9-one, 2-(trifluoromethyl)-
Systematic Name English
2-Trifluoromethyl-9-thioxanthone
Systematic Name English
2-Trifluoromethylthioxanthone
Systematic Name English
Thioxanthen-9-one, 2-(trifluoromethyl)-
Systematic Name English
Flupentixol Dihydrochloride Impurity G [Ep Impurity]
Common Name English
2-(Trifluoromethyl)-9H-thioxanthen-9-one
Systematic Name English
Code System Code Type Description
CAS
1693-28-3
Created by admin on Sat Dec 16 19:50:17 UTC 2023 , Edited by admin on Sat Dec 16 19:50:17 UTC 2023
PRIMARY
FDA UNII
7J4R9HK2QN
Created by admin on Sat Dec 16 19:50:17 UTC 2023 , Edited by admin on Sat Dec 16 19:50:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID50168689
Created by admin on Sat Dec 16 19:50:17 UTC 2023 , Edited by admin on Sat Dec 16 19:50:17 UTC 2023
PRIMARY
ECHA (EC/EINECS)
216-893-7
Created by admin on Sat Dec 16 19:50:17 UTC 2023 , Edited by admin on Sat Dec 16 19:50:17 UTC 2023
PRIMARY
PUBCHEM
74324
Created by admin on Sat Dec 16 19:50:17 UTC 2023 , Edited by admin on Sat Dec 16 19:50:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY