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Thiodivaleric acid structure
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Thiodivaleric acid

TL;DR: Thiodivaleric acid (CAS 1111-64-4) is a chemical compound with molecular formula C10H18O4S and molecular weight 234.09258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-(4-carboxybutylsulfanyl)pentanoic acid

Also Known As: Thiodivaleric acid, 5,5'-Thiodivaleric acid, Pentanoic acid, 5,5'-thiobis-, Valeric acid, 5,5'-thiodi-, 5,5'-sulfanediyldipentanoic acid

CAS Number
1111-64-4
Molecular Formula
C10H18O4S
Molecular Weight
234.09258 g/mol
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Application Areas

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

Polymer Intermediates (26 patents)

Technical Specifications

Molecular FormulaC10H18O4S
Molecular Weight234.09258 g/mol
XLogP1.3
Topological Polar Surface Area (TPSA)99.9 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds10
Exact Mass234.09258 Da
Heavy Atoms15
Complexity174.0
SMILESC(CCSCCCCC(=O)O)CC(=O)O
InChIKeyACAYZXFEFNEADF-UHFFFAOYSA-N

Chemical Property Profile of Thiodivaleric acid

XLogP
1.3
TPSA (Topological Polar Surface Area)
99.9
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
10
Heavy Atoms
15
Complexity
174.0
Exact Mass
234.09258
Monoisotopic Mass
234.09258
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 Thiodivaleric acid

The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiodivaleric acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiodivaleric acid. Following Lipinski's Rule of Five, Thiodivaleric acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Thiodivaleric acid?

The CAS number of Thiodivaleric acid is 1111-64-4.

What is the molecular formula of Thiodivaleric acid?

The molecular formula of Thiodivaleric acid is C10H18O4S.

What is the molecular weight of Thiodivaleric acid?

The molecular weight of Thiodivaleric acid is 234.09258 g/mol.

Where can I buy Thiodivaleric acid?

You can request a quote for Thiodivaleric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Thiodivaleric acid?

Yes, CoreyChem provides custom synthesis services for Thiodivaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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