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2,2'-Thiodiacetic Acid

CAT: 0572-TRC-T344560-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-T344560-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123-93-3
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II
Purity
>95% (HPLC)
Smiles
OC(=O)CSCC(=O)O
Molecular Formula
C4 H6 O4 S
Molecular Weight
150.15
InChI
InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
Additionnal Information
IUPAC name: 2-(carboxymethylsulfanyl)acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

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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