Trimethylene di(thiotosylate)
TL;DR: Trimethylene di(thiotosylate) (CAS 3866-79-3) is a chemical compound with molecular formula C17H20O4S4 and molecular weight 416.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[3-(4-methylphenyl)sulfonylsulfanylpropylsulfanylsulfonyl]benzene
Also Known As: Trimethylene di(thiotosylate), 1,3-Di(p-tosylthio)propane, 1,3-ditosylmercaptopropane, 4-NITROACETOPHENONE, 1,3-Propanedithiol ditosylate
| Molecular Formula | C17H20O4S4 |
|---|---|
| Molecular Weight | 416.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.02444 |
| Heavy Atoms | 25 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 3866-79-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SCCCSS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | QOICHLMIPNOKLN-UHFFFAOYSA-N |
Product Overview
Trimethylene di(thiotosylate) (CAS 3866-79-3), with molecular formula C17H20O4S4 and molecular weight 416.02 g/mol. IUPAC: 1-methyl-4-[3-(4-methylphenyl)sulfonylsulfanylpropylsulfanylsulfonyl]benzene.
Chemical Property Profile of Trimethylene di(thiotosylate)
Property Insights of Trimethylene di(thiotosylate)
The XLogP value of 4.1 indicates that Trimethylene di(thiotosylate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethylene di(thiotosylate). Following Lipinski's Rule of Five, Trimethylene di(thiotosylate) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trimethylene di(thiotosylate)?
The CAS number of Trimethylene di(thiotosylate) is 3866-79-3.
What is the molecular formula of Trimethylene di(thiotosylate)?
The molecular formula of Trimethylene di(thiotosylate) is C17H20O4S4.
What is the molecular weight of Trimethylene di(thiotosylate)?
The molecular weight of Trimethylene di(thiotosylate) is 416.02 g/mol.
Where can I buy Trimethylene di(thiotosylate)?
You can request a quote for Trimethylene di(thiotosylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylene di(thiotosylate)?
Yes, KEHONG BIO provides custom synthesis services for Trimethylene di(thiotosylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.