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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6F3NS.ClH
Molecular Weight 229.65
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

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

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

Molecular Formula ClH
Molecular Weight 36.461
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 Wed Apr 02 21:10:10 GMT 2025
Edited
by admin
on Wed Apr 02 21:10:10 GMT 2025
Record UNII
9TLU3MX2RW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Amino-4-(trifluoromethyl)benzene-1-thiol hydrochloride
Preferred Name English
2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride
Systematic Name English
Benzenethiol, 2-amino-4-(trifluoromethyl)-, hydrochloride (1:1)
Systematic Name English
p-Toluenethiol, 2-amino-?,?,?-trifluoro-, hydrochloride
Systematic Name English
4-Trifluoromethyl-2-aminothiophenol hydrochloride
Systematic Name English
3-Amino-4-mercaptobenzotrifluoride hydrochloride
Systematic Name English
Benzenethiol, 2-amino-4-(trifluoromethyl)-, hydrochloride
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9057898
Created by admin on Wed Apr 02 21:10:10 GMT 2025 , Edited by admin on Wed Apr 02 21:10:10 GMT 2025
PRIMARY
FDA UNII
9TLU3MX2RW
Created by admin on Wed Apr 02 21:10:10 GMT 2025 , Edited by admin on Wed Apr 02 21:10:10 GMT 2025
PRIMARY
PUBCHEM
2734678
Created by admin on Wed Apr 02 21:10:10 GMT 2025 , Edited by admin on Wed Apr 02 21:10:10 GMT 2025
PRIMARY
CAS
4274-38-8
Created by admin on Wed Apr 02 21:10:10 GMT 2025 , Edited by admin on Wed Apr 02 21:10:10 GMT 2025
PRIMARY
Related Record Type Details
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