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Details

Stereochemistry ACHIRAL
Molecular Formula C5H7O2S2.Na
Molecular Weight 186.228
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 1,3-dithiane-2-carboxylate

SMILES

[Na+].[O-]C(=O)C1SCCCS1

InChI

InChIKey=NBRXRGHQBPRZQM-UHFFFAOYSA-M
InChI=1S/C5H8O2S2.Na/c6-4(7)5-8-2-1-3-9-5;/h5H,1-3H2,(H,6,7);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,3-Dithiane-2-carboxylic acid, sodium salt
Preferred Name English
Sodium 1,3-dithiane-2-carboxylate
Systematic Name English
1,3-Dithiane-2-carboxylic acid, sodium salt (1:1)
Common Name English
Code System Code Type Description
FDA UNII
ZKA99U7KWS
Created by admin on Wed Apr 02 17:17:04 GMT 2025 , Edited by admin on Wed Apr 02 17:17:04 GMT 2025
PRIMARY
PUBCHEM
23713208
Created by admin on Wed Apr 02 17:17:04 GMT 2025 , Edited by admin on Wed Apr 02 17:17:04 GMT 2025
PRIMARY
CAS
64291-65-2
Created by admin on Wed Apr 02 17:17:04 GMT 2025 , Edited by admin on Wed Apr 02 17:17:04 GMT 2025
PRIMARY
NIH
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