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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8O2S3
Molecular Weight 256.364
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3H-1,2-DITHIOLE, 5-(4-METHOXYPHENYL)-3-SULFINYL-

SMILES

COC1=CC=C(C=C1)C2=CC(SS2)=[S+][O-]

InChI

InChIKey=RJQMKIIYNAHIHP-UHFFFAOYSA-N
InChI=1S/C10H8O2S3/c1-12-8-4-2-7(3-5-8)9-6-10(13-11)15-14-9/h2-6H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
ADTSO
Preferred Name English
3H-1,2-DITHIOLE, 5-(4-METHOXYPHENYL)-3-SULFINYL-
Systematic Name English
3H-1,2-DITHIOLE-3-THIONE, 5-(4-METHOXYPHENYL)-, S-OXIDE
Systematic Name English
Code System Code Type Description
FDA UNII
JZH4FN7Q35
Created by admin on Wed Apr 02 05:36:21 GMT 2025 , Edited by admin on Wed Apr 02 05:36:21 GMT 2025
PRIMARY
PUBCHEM
15066987
Created by admin on Wed Apr 02 05:36:21 GMT 2025 , Edited by admin on Wed Apr 02 05:36:21 GMT 2025
PRIMARY
CAS
127367-51-5
Created by admin on Wed Apr 02 05:36:21 GMT 2025 , Edited by admin on Wed Apr 02 05:36:21 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of ANETHOLTRITHION
NIH
NCATS
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