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Dilauryl thiodipropionate

CAT: 0931-T20097-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T20097-01Size:100 mg
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CAS Number
123-28-4
Target
Others
Related Pathways
Others
Bioactivity
Dilauryl Thiodipropionate is an agent of antioxidants.
Smiles
CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC
Molecular Formula
C30H58O4S
Molecular Weight
514.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Propanoic acid, 3,3'-thiobis-, didodecyl ester

Didodecyl thiobispropanoate is a dicarboxylic acid.

CAS Number123-28-4
PubChem CID31250
IUPAC Namedodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
Molecular FormulaC30H58O4S
Molecular Weight514.8
XLogP11.7
Topological Polar Surface Area77.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count30
Heavy Atom Count35
Formal Charge0
Complexity416
SMILES
CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC
InChI
InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey
GHKOFFNLGXMVNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propanoic acid, 3,3'-thiobis-, didodecyl ester
CAS: 123-28-4
CID: 31250
Formula: C30H58O4S
MW: 514.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight514.8
XLogP311.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count30
Exact Mass514.40558150
Monoisotopic Mass514.40558150
Topological Polar Surface Area77.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity416
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