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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4F3NO2S
Molecular Weight 223.172
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Nitrophenyl trifluoromethyl sulfide

SMILES

[O-][N+](=O)C1=CC(SC(F)(F)F)=CC=C1

InChI

InChIKey=LCYLLPJRCOQTHG-UHFFFAOYSA-N
InChI=1S/C7H4F3NO2S/c8-7(9,10)14-6-3-1-2-5(4-6)11(12)13/h1-4H

HIDE SMILES / InChI

Molecular Formula C7H4F3NO2S
Molecular Weight 223.172
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 19:06:28 GMT 2025
Edited
by admin
on Tue Apr 01 19:06:28 GMT 2025
Record UNII
AN984JK7A2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
m-Nitrophenyl trifluoromethyl sulfide
Preferred Name English
3-Nitrophenyl trifluoromethyl sulfide
Systematic Name English
(3-Nitrophenyl)(trifluoromethyl)sulfane
Systematic Name English
Sulfide, m-nitrophenyl trifluoromethyl
Systematic Name English
1-Nitro-3-[(trifluoromethyl)thio]benzene
Systematic Name English
Benzene, 1-nitro-3-[(trifluoromethyl)thio]-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
206-727-1
Created by admin on Tue Apr 01 19:06:28 GMT 2025 , Edited by admin on Tue Apr 01 19:06:28 GMT 2025
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CAS
370-47-8
Created by admin on Tue Apr 01 19:06:28 GMT 2025 , Edited by admin on Tue Apr 01 19:06:28 GMT 2025
PRIMARY
PUBCHEM
67787
Created by admin on Tue Apr 01 19:06:28 GMT 2025 , Edited by admin on Tue Apr 01 19:06:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID0059900
Created by admin on Tue Apr 01 19:06:28 GMT 2025 , Edited by admin on Tue Apr 01 19:06:28 GMT 2025
PRIMARY
FDA UNII
AN984JK7A2
Created by admin on Tue Apr 01 19:06:28 GMT 2025 , Edited by admin on Tue Apr 01 19:06:28 GMT 2025
PRIMARY