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

Details

Stereochemistry ACHIRAL
Molecular Formula C3H7O3S2.Na
Molecular Weight 178.206
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 3-mercapto-1-propanesulfonate

SMILES

[Na+].[O-]S(=O)(=O)CCCS

InChI

InChIKey=FRTIVUOKBXDGPD-UHFFFAOYSA-M
InChI=1S/C3H8O3S2.Na/c4-8(5,6)3-1-2-7;/h7H,1-3H2,(H,4,5,6);/q;+1/p-1

HIDE SMILES / InChI
Molecular Formula C3H7O3S2
Molecular Weight 155.216
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:24:08 GMT 2025
Edited
by admin
on Mon Mar 31 22:24:08 GMT 2025
Record UNII
S8NUH5URK8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 3-mercapto-1-propanesulfonate
Systematic Name English
1-Propanesulfonic acid, 3-mercapto-, sodium salt (1:1)
Preferred Name English
Sodium 3-mercaptopropylsulfonate
Systematic Name English
Sodium ?-mercaptopropanesulfonate
Systematic Name English
1-Propanesulfonic acid, 3-mercapto-, monosodium salt
Systematic Name English
Code System Code Type Description
CAS
17636-10-1
Created by admin on Mon Mar 31 22:24:08 GMT 2025 , Edited by admin on Mon Mar 31 22:24:08 GMT 2025
PRIMARY
FDA UNII
S8NUH5URK8
Created by admin on Mon Mar 31 22:24:08 GMT 2025 , Edited by admin on Mon Mar 31 22:24:08 GMT 2025
PRIMARY
ECHA (EC/EINECS)
241-620-3
Created by admin on Mon Mar 31 22:24:08 GMT 2025 , Edited by admin on Mon Mar 31 22:24:08 GMT 2025
PRIMARY
PUBCHEM
23672317
Created by admin on Mon Mar 31 22:24:08 GMT 2025 , Edited by admin on Mon Mar 31 22:24:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID6066232
Created by admin on Mon Mar 31 22:24:08 GMT 2025 , Edited by admin on Mon Mar 31 22:24:08 GMT 2025
PRIMARY
Related Record Type Details
Structure of 3-Mercapto-1-propanesulfonic acid
PARENT -> SALT/SOLVATE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966