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Isethionic acid sodium salt

CAT: 0804-HY-Y1173-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1173-01Size:500 mg
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Description
Isethionic acid sodium salt is an endogenous metabolite.
CAS Number
1562-00-1
Product Name Alternative
Sodium 1-hydroxy-2-ethanesulfonate; Sodium 2-hydroxy-1-ethanesulfonate; Sodium 2-hydroxyethanesulfonate
UNSPSC
12352100
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/isethionic-acid-sodium-salt.html
Purity
99.88
Solubility
H2O : 100 mg/mL (ultrasonic)
Smiles
OCCS(=O)(O[Na])=O
Molecular Formula
C2H5NaO4S
Molecular Weight
148.11
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Sodium Isethionate

The CIR Expert Panel concluded that the 12 isethionate salts listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Sodium Isethionate...

CAS Number1562-00-1
PubChem CID517063
IUPAC Namesodium 2-hydroxyethanesulfonate
Molecular FormulaC2H5NaO4S
Molecular Weight148.12
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity121
SMILES
C(CS(=O)(=O)[O-])O.[Na+]
InChI
InChI=1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChIKey
LADXKQRVAFSPTR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium Isethionate
CAS: 1562-00-1
CID: 517063
Formula: C2H5NaO4S
MW: 148.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass147.98062409
Monoisotopic Mass147.98062409
Topological Polar Surface Area85.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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