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Details

Stereochemistry ACHIRAL
Molecular Formula C17H12O2S
Molecular Weight 280.341
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(4-Methylphenyl)thio]-1,4-naphthalenedione

SMILES

CC1=CC=C(SC2=CC(=O)C3=C(C=CC=C3)C2=O)C=C1

InChI

InChIKey=IHRGUZGBIGODSC-UHFFFAOYSA-N
InChI=1S/C17H12O2S/c1-11-6-8-12(9-7-11)20-16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3

HIDE SMILES / InChI

Molecular Formula C17H12O2S
Molecular Weight 280.341
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 05:22:29 GMT 2025
Edited
by admin
on Wed Apr 02 05:22:29 GMT 2025
Record UNII
QA5CG5FR9H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-Naphthalenedione, 2-[(4-methylphenyl)thio]-
Preferred Name English
2-[(4-Methylphenyl)thio]-1,4-naphthalenedione
Systematic Name English
2-(4-Methylphenyl)sulfanylnaphthalene-1,4-dione
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70567231
Created by admin on Wed Apr 02 05:22:29 GMT 2025 , Edited by admin on Wed Apr 02 05:22:29 GMT 2025
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FDA UNII
QA5CG5FR9H
Created by admin on Wed Apr 02 05:22:29 GMT 2025 , Edited by admin on Wed Apr 02 05:22:29 GMT 2025
PRIMARY
CAS
89478-03-5
Created by admin on Wed Apr 02 05:22:29 GMT 2025 , Edited by admin on Wed Apr 02 05:22:29 GMT 2025
PRIMARY
PUBCHEM
15032092
Created by admin on Wed Apr 02 05:22:29 GMT 2025 , Edited by admin on Wed Apr 02 05:22:29 GMT 2025
PRIMARY