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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14NO3S3.Na
Molecular Weight 279.376
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 2-(((diethylamino)thioxomethyl)thio)ethanesulfonate

SMILES

[Na+].CCN(CC)C(=S)SCCS([O-])(=O)=O

InChI

InChIKey=AFIMJRRIIXAUAJ-UHFFFAOYSA-M
InChI=1S/C7H15NO3S3.Na/c1-3-8(4-2)7(12)13-5-6-14(9,10)11;/h3-6H2,1-2H3,(H,9,10,11);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C7H14NO3S3
Molecular Weight 256.386
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
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 12:30:16 GMT 2023
Edited
by admin
on Sat Dec 16 12:30:16 GMT 2023
Record UNII
FM3TS9G47P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 2-(((diethylamino)thioxomethyl)thio)ethanesulfonate
Systematic Name English
Ethanesulfonic acid, 2-[[(diethylamino)thioxomethyl]thio]-, sodium salt
Common Name English
Ethanesulfonic acid, 2-[[(diethylamino)thioxomethyl]thio]-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
FM3TS9G47P
Created by admin on Sat Dec 16 12:30:16 GMT 2023 , Edited by admin on Sat Dec 16 12:30:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID70201744
Created by admin on Sat Dec 16 12:30:16 GMT 2023 , Edited by admin on Sat Dec 16 12:30:16 GMT 2023
PRIMARY
PUBCHEM
23663642
Created by admin on Sat Dec 16 12:30:16 GMT 2023 , Edited by admin on Sat Dec 16 12:30:16 GMT 2023
PRIMARY
CAS
5353-48-0
Created by admin on Sat Dec 16 12:30:16 GMT 2023 , Edited by admin on Sat Dec 16 12:30:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-331-2
Created by admin on Sat Dec 16 12:30:16 GMT 2023 , Edited by admin on Sat Dec 16 12:30:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE