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

Details

Stereochemistry RACEMIC
Molecular Formula C5H6O4S2
Molecular Weight 194.229
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-Dithiolane-3,5-dicarboxylic acid, trans-

SMILES

OC(=O)[C@H]1C[C@@H](SS1)C(O)=O

InChI

InChIKey=OBKGJBFGGPSACP-PWNYCUMCSA-N
InChI=1S/C5H6O4S2/c6-4(7)2-1-3(5(8)9)11-10-2/h2-3H,1H2,(H,6,7)(H,8,9)/t2-,3-/m1/s1

HIDE SMILES / InChI

Molecular Formula C5H6O4S2
Molecular Weight 194.229
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:52:44 GMT 2025
Edited
by admin
on Wed Apr 02 20:52:44 GMT 2025
Record UNII
QZ788SU468
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-Dithiolane-3,5-dicarboxylic acid, (3R,5R)-rel-
Preferred Name English
1,2-Dithiolane-3,5-dicarboxylic acid, trans-
Systematic Name English
rel-(3R,5R)-1,2-Dithiolane-3,5-dicarboxylic acid
Systematic Name English
Code System Code Type Description
CAS
19307-93-8
Created by admin on Wed Apr 02 20:52:44 GMT 2025 , Edited by admin on Wed Apr 02 20:52:44 GMT 2025
PRIMARY
PUBCHEM
92160983
Created by admin on Wed Apr 02 20:52:44 GMT 2025 , Edited by admin on Wed Apr 02 20:52:44 GMT 2025
PRIMARY
FDA UNII
QZ788SU468
Created by admin on Wed Apr 02 20:52:44 GMT 2025 , Edited by admin on Wed Apr 02 20:52:44 GMT 2025
PRIMARY