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Thioglycolic Acid 2-Ethylhexyl Ester

CAT: 0572-TRC-T350763-1MLSize: 1 mLDry Ice: NoHazardous: No
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CAT#:0572-TRC-T350763-1MLSize:1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7659-86-1
Synonyms
2-Ethylhexyl 2-Mercaptoacetate; 2-Ethylhexyl 2-Sulfanylacetate; 2-Ethylhexyl Mercaptoacetate; 2-Ethylhexyl Thioglycolate; 2-Mercaptoacetic Acid 2-Ethylhexyl Ester; EHTG; Mercaptoacetic Acid 2-Ethylhexyl Ester;
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (GC)
Smiles
CCCCC(CC)COC(=O)CS
Molecular Formula
C10H20O2S
Molecular Weight
204.33
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Ethylhexyl thioglycolate
CAS Number7659-86-1
PubChem CID24309
IUPAC Name2-ethylhexyl 2-sulfanylacetate
Molecular FormulaC10H20O2S
Molecular Weight204.33
XLogP3.6
Topological Polar Surface Area27.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity137
SMILES
CCCCC(CC)COC(=O)CS
InChI
InChI=1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3
InChIKey
OWHSTLLOZWTNTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylhexyl thioglycolate
CAS: 7659-86-1
CID: 24309
Formula: C10H20O2S
MW: 204.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.33
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass204.11840105
Monoisotopic Mass204.11840105
Topological Polar Surface Area27.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity137
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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