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13,16-Dithiaoctacosane structure
Fine Chemical

13,16-Dithiaoctacosane

TL;DR: 13,16-Dithiaoctacosane (CAS 10050-04-1) is a chemical compound with molecular formula C26H54S2 and molecular weight 430.3667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-(2-dodecylsulfanylethylsulfanyl)dodecane

Also Known As: 13,16-DITHIAOCTACOSANE, 1-(2-dodecylsulfanylethylsulfanyl)dodecane, 1,2-BIS(DODECYLTHIO)ETHANE, 1,2-DILAURYL DITHIOETHYLENE, Dodecane, 1,1'-(1,2-ethanediylbis(thio))bis-

CAS Number
10050-04-1
Molecular Formula
C26H54S2
Molecular Weight
430.3667 g/mol
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Application Areas

Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (1 patents)

Technical Specifications

Molecular FormulaC26H54S2
Molecular Weight430.3667 g/mol
XLogP12.7
Topological Polar Surface Area (TPSA)50.6 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors2
Rotatable Bonds25
Exact Mass430.3667 Da
Heavy Atoms28
Complexity229.0
SMILESCCCCCCCCCCCCSCCSCCCCCCCCCCCC
InChIKeyWXXCXXVZIQCGNZ-UHFFFAOYSA-N

Chemical Property Profile of 13,16-Dithiaoctacosane

XLogP
12.7
TPSA (Topological Polar Surface Area)
50.6
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
25
Heavy Atoms
28
Complexity
229.0
Exact Mass
430.3667
Monoisotopic Mass
430.3667
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 13,16-Dithiaoctacosane

The XLogP value of 12.7 indicates that 13,16-Dithiaoctacosane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 13,16-Dithiaoctacosane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13,16-Dithiaoctacosane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 13,16-Dithiaoctacosane?

The CAS number of 13,16-Dithiaoctacosane is 10050-04-1.

What is the molecular formula of 13,16-Dithiaoctacosane?

The molecular formula of 13,16-Dithiaoctacosane is C26H54S2.

What is the molecular weight of 13,16-Dithiaoctacosane?

The molecular weight of 13,16-Dithiaoctacosane is 430.3667 g/mol.

Where can I buy 13,16-Dithiaoctacosane?

You can request a quote for 13,16-Dithiaoctacosane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 13,16-Dithiaoctacosane?

Yes, CoreyChem provides custom synthesis services for 13,16-Dithiaoctacosane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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