U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H6O2S3
Molecular Weight 242.338
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DMADTSO

SMILES

OC1=CC=C(C=C1)C2=CC(SS2)=[S+][O-]

InChI

InChIKey=OLFCLLHDTYEBKK-UHFFFAOYSA-N
InChI=1S/C9H6O2S3/c10-7-3-1-6(2-4-7)8-5-9(12-11)14-13-8/h1-5,10H

HIDE SMILES / InChI

Molecular Formula C9H6O2S3
Molecular Weight 242.338
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:41:36 UTC 2023
Edited
by admin
on Sat Dec 16 15:41:36 UTC 2023
Record UNII
7O9PR3GR3X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DMADTSO
Common Name English
PHENOL, 4-(3-SULFINYL-3H-1,2-DITHIOL-5-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
7O9PR3GR3X
Created by admin on Sat Dec 16 15:41:36 UTC 2023 , Edited by admin on Sat Dec 16 15:41:36 UTC 2023
PRIMARY
PUBCHEM
15066981
Created by admin on Sat Dec 16 15:41:36 UTC 2023 , Edited by admin on Sat Dec 16 15:41:36 UTC 2023
PRIMARY
CAS
127367-39-9
Created by admin on Sat Dec 16 15:41:36 UTC 2023 , Edited by admin on Sat Dec 16 15:41:36 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE