Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate

CAS
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CAS
13103-52-1
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Catalog Number

ACM13103521-1

Product Name

Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate

Structure

CAS

13103-52-1

Category

Heterocyclic Organic Compound

Synonyms

Lauryl stearyl 3,3'-thiodipropionate

IUPAC Name

Dodecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate

Molecular Weight

599

Molecular Formula

C36H70O4S

Canonical SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC

InChI

InChI=1S/C36H70O4S/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-32-40-36(38)30-34-41-33-29-35(37)39-31-27-25-23-21-14-12-10-8-6-4-2/h3-34H2,1-2H3

InChI Key

RRZCFXQTVDJDGF-UHFFFAOYSA-N

Boiling Point

645.0±40.0 °C

Density

0.930±0.06 g/cm3

Complexity

540

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

598.49948188

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

598.49948188

Rotatable Bond Count

Topological Polar Surface Area

77.9 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

MSDS

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COA

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Spec Sheet

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Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate

A polymer monomer