U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C4H8O4S2
Molecular Weight 184.234
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(ACETYLSULFANYL)ETHANESULFONIC ACID

SMILES

CC(=O)SCCS(O)(=O)=O

InChI

InChIKey=KODOIOCJZCCYHX-UHFFFAOYSA-N
InChI=1S/C4H8O4S2/c1-4(5)9-2-3-10(6,7)8/h2-3H2,1H3,(H,6,7,8)

HIDE SMILES / InChI

Molecular Formula C4H8O4S2
Molecular Weight 184.234
Charge 0
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 Mon Mar 31 23:21:41 GMT 2025
Edited
by admin
on Mon Mar 31 23:21:41 GMT 2025
Record UNII
CZ8CW74Z78
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(ACETYLSULFANYL)ETHANESULFONIC ACID
Systematic Name English
MESNA IMPURITY C [EP IMPURITY]
Preferred Name English
ETHANETHIOIC ACID, S-(2-SULFOETHYL) ESTER
Systematic Name English
2-ACETYLTHIOETHANESULFONIC ACID
Systematic Name English
MESNA RELATED COMPOUND A [USP-RS]
Common Name English
MESNA RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1392818
Created by admin on Mon Mar 31 23:21:41 GMT 2025 , Edited by admin on Mon Mar 31 23:21:41 GMT 2025
PRIMARY
CAS
69536-71-6
Created by admin on Mon Mar 31 23:21:41 GMT 2025 , Edited by admin on Mon Mar 31 23:21:41 GMT 2025
PRIMARY
FDA UNII
CZ8CW74Z78
Created by admin on Mon Mar 31 23:21:41 GMT 2025 , Edited by admin on Mon Mar 31 23:21:41 GMT 2025
PRIMARY
PUBCHEM
11644039
Created by admin on Mon Mar 31 23:21:41 GMT 2025 , Edited by admin on Mon Mar 31 23:21:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID40469910
Created by admin on Mon Mar 31 23:21:41 GMT 2025 , Edited by admin on Mon Mar 31 23:21:41 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP