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Details

Stereochemistry ACHIRAL
Molecular Formula C3H7O3S3.Na.H2O
Molecular Weight 228.286
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2,3-DIMERCAPTO-1-PROPANESULFONATE MONOHYDRATE

SMILES

O.[Na+].[O-]S(=O)(=O)CC(S)CS

InChI

InChIKey=XMUHNMQFDVIWGU-UHFFFAOYSA-M
InChI=1S/C3H8O3S3.Na.H2O/c4-9(5,6)2-3(8)1-7;;/h3,7-8H,1-2H2,(H,4,5,6);;1H2/q;+1;/p-1

HIDE SMILES / InChI

Molecular Formula C3H8O3S3
Molecular Weight 188.289
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula HO
Molecular Weight 17.0073
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 08:25:38 UTC 2023
Edited
by admin
on Sat Dec 16 08:25:38 UTC 2023
Record UNII
DH52SRB8Z2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 2,3-DIMERCAPTO-1-PROPANESULFONATE MONOHYDRATE
Systematic Name English
1-PROPANESULFONIC ACID, 2,3-DIMERCAPTO-, SODIUM SALT, HYDRATE (1:1:1)
Systematic Name English
SODIUM 2,3-DIMERCAPTOPROPANESULFONATE HYDRATE
Systematic Name English
UNITHIOL MONOHYDRATE
Common Name English
SODIUM 2,3-DIMERCAPTOPROPANE SULFONATE MONOHYDRATE
Systematic Name English
1-PROPANESULFONIC ACID, 2,3-DIMERCAPTO-, MONOSODIUM SALT, MONOHYDRATE
Systematic Name English
Code System Code Type Description
FDA UNII
DH52SRB8Z2
Created by admin on Sat Dec 16 08:25:38 UTC 2023 , Edited by admin on Sat Dec 16 08:25:38 UTC 2023
PRIMARY
PUBCHEM
23676755
Created by admin on Sat Dec 16 08:25:38 UTC 2023 , Edited by admin on Sat Dec 16 08:25:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID9046607
Created by admin on Sat Dec 16 08:25:38 UTC 2023 , Edited by admin on Sat Dec 16 08:25:38 UTC 2023
PRIMARY
CAS
207233-91-8
Created by admin on Sat Dec 16 08:25:38 UTC 2023 , Edited by admin on Sat Dec 16 08:25:38 UTC 2023
PRIMARY
SMS_ID
100000164807
Created by admin on Sat Dec 16 08:25:38 UTC 2023 , Edited by admin on Sat Dec 16 08:25:38 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY