((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid
TL;DR: ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid (CAS 80159-88-2) is a chemical compound with molecular formula C16H26O4S4 and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[12-(carboxymethylsulfanyl)-12-sulfanylidenedodecanethioyl]sulfanylacetic acid
Also Known As: ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid, 2-[12-(carboxymethylsulfanyl)-12-sulfanylidenedodecanethioyl, 2-[12-(carboxymethylsulfanyl)-12-sulfanylidenedodecanethioyl]sulfanylacetic acid, 2-[12-(carboxymethylsulfanyl)-12-thioxo-dodecanethioyl]sulfanylacetic acid, 2,2'-{[1,12-Bis(sulfanylidene)dodecane-1,12-diyl]bis(sulfanediyl)}diacetic acid
| Molecular Formula | C16H26O4S4 |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 410.07138 |
| Heavy Atoms | 24 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 80159-88-2 |
|---|---|
| SMILES | C(CCCCCC(=S)SCC(=O)O)CCCCC(=S)SCC(=O)O |
| InChIKey | CAEOGETYMNHSHD-UHFFFAOYSA-N |
Product Overview
((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid (CAS 80159-88-2), with molecular formula C16H26O4S4 and molecular weight 410.07 g/mol. IUPAC: 2-[12-(carboxymethylsulfanyl)-12-sulfanylidenedodecanethioyl]sulfanylacetic acid.
Chemical Property Profile of ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid
Property Insights of ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid
The XLogP value of 5.3 indicates that ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid?
The CAS number of ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid is 80159-88-2.
What is the molecular formula of ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid?
The molecular formula of ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid is C16H26O4S4.
What is the molecular weight of ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid?
The molecular weight of ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid is 410.07 g/mol.
Where can I buy ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid?
You can request a quote for ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((12-((Carboxymethyl)thio)-12-thioxododecanethioyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.