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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6F3NS
Molecular Weight 193.189
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-4-(trifluoromethyl)benzenethiol

SMILES

NC1=CC(=CC=C1S)C(F)(F)F

InChI

InChIKey=MVTRQRSNYWDWMY-UHFFFAOYSA-N
InChI=1S/C7H6F3NS/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2

HIDE SMILES / InChI

Molecular Formula C7H6F3NS
Molecular Weight 193.189
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 19:11:35 GMT 2025
Edited
by admin
on Tue Apr 01 19:11:35 GMT 2025
Record UNII
BKR27A44U7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Amino-4-(trifluoromethyl)benzene-1-thiol
Preferred Name English
2-Amino-4-(trifluoromethyl)benzenethiol
Systematic Name English
2-Amino-4-trifluoromethylbenzenethiol
Systematic Name English
p-Toluenethiol, 2-amino-?,?,?-trifluoro-
Systematic Name English
Benzenethiol, 2-amino-4-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
BKR27A44U7
Created by admin on Tue Apr 01 19:11:35 GMT 2025 , Edited by admin on Tue Apr 01 19:11:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID0057675
Created by admin on Tue Apr 01 19:11:35 GMT 2025 , Edited by admin on Tue Apr 01 19:11:35 GMT 2025
PRIMARY
CAS
19406-49-6
Created by admin on Tue Apr 01 19:11:35 GMT 2025 , Edited by admin on Tue Apr 01 19:11:35 GMT 2025
PRIMARY
ECHA (EC/EINECS)
243-038-5
Created by admin on Tue Apr 01 19:11:35 GMT 2025 , Edited by admin on Tue Apr 01 19:11:35 GMT 2025
PRIMARY
PUBCHEM
88042
Created by admin on Tue Apr 01 19:11:35 GMT 2025 , Edited by admin on Tue Apr 01 19:11:35 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT