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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 Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:57:33 GMT 2023
Edited
by admin
on Sat Dec 16 08:57:33 GMT 2023
Record UNII
S8NUH5URK8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 3-mercapto-1-propanesulfonate
Systematic Name English
Sodium 3-mercaptopropylsulfonate
Systematic Name English
Sodium γ-mercaptopropanesulfonate
Systematic Name English
1-Propanesulfonic acid, 3-mercapto-, monosodium salt
Systematic Name English
1-Propanesulfonic acid, 3-mercapto-, sodium salt (1:1)
Common Name English
Code System Code Type Description
CAS
17636-10-1
Created by admin on Sat Dec 16 08:57:33 GMT 2023 , Edited by admin on Sat Dec 16 08:57:33 GMT 2023
PRIMARY
FDA UNII
S8NUH5URK8
Created by admin on Sat Dec 16 08:57:33 GMT 2023 , Edited by admin on Sat Dec 16 08:57:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
241-620-3
Created by admin on Sat Dec 16 08:57:33 GMT 2023 , Edited by admin on Sat Dec 16 08:57:33 GMT 2023
PRIMARY
PUBCHEM
23672317
Created by admin on Sat Dec 16 08:57:33 GMT 2023 , Edited by admin on Sat Dec 16 08:57:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID6066232
Created by admin on Sat Dec 16 08:57:33 GMT 2023 , Edited by admin on Sat Dec 16 08:57:33 GMT 2023
PRIMARY
Related Record Type Details
Structure of 3-Mercapto-1-propanesulfonic acid
PARENT -> SALT/SOLVATE
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