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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H7O2S2.K
Molecular Weight 202.336
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H7O2S2
Molecular Weight 163.238
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:56:29 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:29 GMT 2023
Record UNII
NYY364L7QE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Potassium 1,3-dithiane-2-carboxylate
Systematic Name English
1,3-Dithiane-2-carboxylic acid, potassium salt (1:1)
Common Name English
1,3-Dithiane-2-carboxylic acid, potassium salt
Common Name English
Code System Code Type Description
CAS
1256844-52-6
Created by admin on Sat Dec 16 19:56:30 GMT 2023 , Edited by admin on Sat Dec 16 19:56:30 GMT 2023
PRIMARY
PUBCHEM
167713322
Created by admin on Sat Dec 16 19:56:30 GMT 2023 , Edited by admin on Sat Dec 16 19:56:30 GMT 2023
PRIMARY
FDA UNII
NYY364L7QE
Created by admin on Sat Dec 16 19:56:30 GMT 2023 , Edited by admin on Sat Dec 16 19:56:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE