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2,2'-Thiodiacetic acid

CAT: 0804-HY-W012583-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W012583-01Size:100 g
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Description
2,2'-Thiodiacetic acid (Thiodiglycolic acid) is a human L-xylulose reductase (XR) inhibitor with inhibition rate of 28% at 10 mM. 2,2'-Thiodiacetic acid can be used for the research of diabetes [1].
CAS Number
123-93-3
Product Name Alternative
Thiodiglycolic acid
UNSPSC
12352211
Hazard Statement
H314
Target
Aldose Reductase
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Metabolic Disease
Purity
99.90
Smiles
O=C(O)CSCC(=O)O
Molecular Formula
C4H6O4S
Molecular Weight
150.15
Precautions
H314
References & Citations
[1]Carbone V, et al. Structure-based discovery of human L-xylulose reductase inhibitors from database screening and molecular docking. Bioorg Med Chem. 2005 Jan 17;13 (2) :301-12.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Thiodiglycolic acid

Thiodiacetic acid is a dicarboxylic acid.

CAS Number123-93-3
PubChem CID31277
IUPAC Name2-(carboxymethylsulfanyl)acetic acid
Molecular FormulaC4H6O4S
Molecular Weight150.16
XLogP0.1
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity108
SMILES
C(C(=O)O)SCC(=O)O
InChI
InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey
UVZICZIVKIMRNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiodiglycolic acid
CAS: 123-93-3
CID: 31277
Formula: C4H6O4S
MW: 150.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.16
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass149.99867984
Monoisotopic Mass149.99867984
Topological Polar Surface Area99.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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