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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H6F3NOS
Molecular Weight 221.2
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,2-TRIFLUORO-N-(4-MERCAPTOPHENYL)ACETAMIDE

SMILES

FC(F)(F)C(=O)NC1=CC=C(S)C=C1

InChI

InChIKey=WJSDFLAFDAZHPZ-UHFFFAOYSA-N
InChI=1S/C8H6F3NOS/c9-8(10,11)7(13)12-5-1-3-6(14)4-2-5/h1-4,14H,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C8H6F3NOS
Molecular Weight 221.2
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 20:37:26 GMT 2025
Edited
by admin
on Tue Apr 01 20:37:26 GMT 2025
Record UNII
K4WB9688QG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2,2-TRIFLUORO-N-(4-MERCAPTOPHENYL)ACETAMIDE
Systematic Name English
2,2,2-TRIFLUORO-N-(4-SULFANYLPHENYL)ACETAMIDE
Preferred Name English
ACETAMIDE, 2,2,2-TRIFLUORO-N-(4-MERCAPTOPHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
K4WB9688QG
Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025
PRIMARY
PUBCHEM
3023255
Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025
PRIMARY
ECHA (EC/EINECS)
301-371-4
Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID70240214
Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025
PRIMARY
CAS
94006-35-6
Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025
PRIMARY