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2-Mercaptoethyl decanoate

CAT: 0013-GTR19224189-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224189-01Size:100 mg
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Description
2-Mercaptoethyl decanoate is a synthetic biochemical compound used as a research tool. It serves as a precursor or substrate in studies investigating thiol-based redox biology and fatty acid metabolism in both cellular (in vitro) and animal (in vivo) experimental models.
CAS Number
68928-33-6
Smiles
O=C (OCCS) CCCCCCCCC
Molecular Formula
C12H24O2S
Molecular Weight
232.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Mercaptoethyl decanoate
CAS Number68928-33-6
PubChem CID105875
IUPAC Name2-sulfanylethyl decanoate
Molecular FormulaC12H24O2S
Molecular Weight232.38
XLogP4.5
Topological Polar Surface Area27.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count15
Formal Charge0
Complexity149
SMILES
CCCCCCCCCC(=O)OCCS
InChI
InChI=1S/C12H24O2S/c1-2-3-4-5-6-7-8-9-12(13)14-10-11-15/h15H,2-11H2,1H3
InChIKey
ZXNNPJMEFLZCMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Mercaptoethyl decanoate
CAS: 68928-33-6
CID: 105875
Formula: C12H24O2S
MW: 232.38
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight232.38
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass232.14970118
Monoisotopic Mass232.14970118
Topological Polar Surface Area27.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity149
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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