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CAT: 1410-M37970-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M37970-01Size:1 Each
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Description
Sodium 2,3-dimercaptopropanesulfonate monohydrate
CAS Number
207233-91-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
228.29
Molecular Formula
C3H9NaO4S3
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Sodium 2,3-disulfanylpropane-1-sulfonate hydrate
CAS Number207233-91-8
PubChem CID23676755
IUPAC Namesodium;2,3-bis(sulfanyl)propane-1-sulfonate;hydrate
Molecular FormulaC3H9NaO4S3
Molecular Weight228.3
Topological Polar Surface Area68.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
C(C(CS(=O)(=O)[O-])S)S.O.[Na+]
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
InChIKey
XMUHNMQFDVIWGU-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 2,3-disulfanylpropane-1-sulfonate hydrate
CAS: 207233-91-8
CID: 23676755
Formula: C3H9NaO4S3
MW: 228.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass227.95606657
Monoisotopic Mass227.95606657
Topological Polar Surface Area68.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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