Home Sulfos 1-Propanesulfonic acid, 2,3-dimercapto-, sodium salt, hydrate (1:1:1)

1-Propanesulfonic acid, 2,3-dimercapto-, sodium salt, hydrate (1:1:1)

CAS No.:
207233-91-8
Catalog Number:
AG002IWY
Molecular Formula:
C3H9NaO4S3
Molecular Weight:
228.2859
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Purity
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Product Description
Catalog Number:
AG002IWY
Chemical Name:
1-Propanesulfonic acid, 2,3-dimercapto-, sodium salt, hydrate (1:1:1)
CAS Number:
207233-91-8
Molecular Formula:
C3H9NaO4S3
Molecular Weight:
228.2859
MDL Number:
MFCD00149543
IUPAC Name:
sodium;2,3-bis(sulfanyl)propane-1-sulfonate;hydrate
InChI:
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
InChI Key:
XMUHNMQFDVIWGU-UHFFFAOYSA-M
SMILES:
SCC(CS(=O)(=O)[O-])S.O.[Na+]
EC Number:
606-614-0
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.956g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.271g/mol
Monoisotopic Mass:
227.956g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
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