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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13N2O3S3.Na
Molecular Weight 352.428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of sodium 2-{5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate

SMILES

[Na+].CN1CCS\C1=C\C(C)=C2/SC(=S)N(CC([O-])=O)C2=O

InChI

InChIKey=PKVRQWIDQPNCPF-UOJASKDKSA-M
InChI=1S/C12H14N2O3S3.Na/c1-7(5-8-13(2)3-4-19-8)10-11(17)14(6-9(15)16)12(18)20-10;/h5H,3-4,6H2,1-2H3,(H,15,16);/q;+1/p-1/b8-5+,10-7-;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H13N2O3S3
Molecular Weight 329.438
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:49:34 GMT 2025
Edited
by admin
on Wed Apr 02 17:49:34 GMT 2025
Record UNII
NM6W268MDQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Thiazolidineacetic acid, 5-[1-methyl-2-(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-, sodium salt
Preferred Name English
sodium 2-{5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate
Systematic Name English
3-Thiazolidineacetic acid, 5-[1-methyl-2-(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-, sodium salt (1:1)
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60635514
Created by admin on Wed Apr 02 17:49:34 GMT 2025 , Edited by admin on Wed Apr 02 17:49:34 GMT 2025
PRIMARY
FDA UNII
NM6W268MDQ
Created by admin on Wed Apr 02 17:49:34 GMT 2025 , Edited by admin on Wed Apr 02 17:49:34 GMT 2025
PRIMARY
CAS
144940-73-8
Created by admin on Wed Apr 02 17:49:34 GMT 2025 , Edited by admin on Wed Apr 02 17:49:34 GMT 2025
PRIMARY