![[Bis(hexadecylsulfanyl)methyl]benzene structure](/static/products/1040/104030-14-0.webp)
[Bis(hexadecylsulfanyl)methyl]benzene
TL;DR: [Bis(hexadecylsulfanyl)methyl]benzene (CAS 104030-14-0) is a chemical compound with molecular formula C39H72S2 and molecular weight 604.50757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(hexadecylsulfanyl)methylbenzene
Also Known As: [bis(hexadecylsulfanyl)methyl]benzene|bis(hexadecylsulfanyl)methylbenzene|KST-1A0412|Benzene,[bis(hexadecylthio)methyl]-|2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydro-, methylcarbamate (ester)|NSC12047
Technical Specifications
| Molecular Formula | C39H72S2 |
| Molecular Weight | 604.50757 g/mol |
| XLogP | 18.7 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 33 |
| Exact Mass | 604.50757 Da |
| Heavy Atoms | 41 |
| Complexity | 438.0 |
| SMILES | CCCCCCCCCCCCCCCCSC(C1=CC=CC=C1)SCCCCCCCCCCCCCCCC |
| InChIKey | QOJWWGZQARSKRL-UHFFFAOYSA-N |
Chemical Property Profile of [Bis(hexadecylsulfanyl)methyl]benzene
Property Insights of [Bis(hexadecylsulfanyl)methyl]benzene
The XLogP value of 18.7 indicates that [Bis(hexadecylsulfanyl)methyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, [Bis(hexadecylsulfanyl)methyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [Bis(hexadecylsulfanyl)methyl]benzene 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 [Bis(hexadecylsulfanyl)methyl]benzene?
The CAS number of [Bis(hexadecylsulfanyl)methyl]benzene is 104030-14-0.
What is the molecular formula of [Bis(hexadecylsulfanyl)methyl]benzene?
The molecular formula of [Bis(hexadecylsulfanyl)methyl]benzene is C39H72S2.
What is the molecular weight of [Bis(hexadecylsulfanyl)methyl]benzene?
The molecular weight of [Bis(hexadecylsulfanyl)methyl]benzene is 604.50757 g/mol.
Where can I buy [Bis(hexadecylsulfanyl)methyl]benzene?
You can request a quote for [Bis(hexadecylsulfanyl)methyl]benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [Bis(hexadecylsulfanyl)methyl]benzene?
Yes, CoreyChem provides custom synthesis services for [Bis(hexadecylsulfanyl)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.