Hexakis(benzylthio)benzene
TL;DR: Hexakis(benzylthio)benzene (CAS 127022-77-9) is a chemical compound with molecular formula C48H42S6 and molecular weight 810.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5,6-hexakis(benzylsulfanyl)benzene
Also Known As: Hexakis(benzylthio)benzene, Hexakis-benzylthio-benzen, 1,2,3,4,5,6-hexakis(benzylsulfanyl)benzene, HEXAKIS(BENZYLSULFANYL)BENZENE, 1,2,3,4,5,6-hexakis(benzylthio)benzene
| Molecular Formula | C48H42S6 |
|---|---|
| Molecular Weight | 810.16 g/mol |
| LogP | 15.4404 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 810.1611 |
| Heavy Atoms | 54 |
| Complexity | 1717.6444 |
Chemical Identifiers
| CAS Number | 127022-77-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=C(C(=C2SCC3=CC=CC=C3)SCC4=CC=CC=C4)SCC5=CC=CC=C5)SCC6=CC=CC=C6)SCC7=CC=CC=C7 |
Product Overview
Hexakis(benzylthio)benzene (CAS 127022-77-9), with molecular formula C48H42S6 and molecular weight 810.16 g/mol. IUPAC: 1,2,3,4,5,6-hexakis(benzylsulfanyl)benzene.
Chemical Property Profile of Hexakis(benzylthio)benzene
Property Insights of Hexakis(benzylthio)benzene
The XLogP value of 15.4404 indicates that Hexakis(benzylthio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexakis(benzylthio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexakis(benzylthio)benzene has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexakis(benzylthio)benzene?
The CAS number of Hexakis(benzylthio)benzene is 127022-77-9.
What is the molecular formula of Hexakis(benzylthio)benzene?
The molecular formula of Hexakis(benzylthio)benzene is C48H42S6.
What is the molecular weight of Hexakis(benzylthio)benzene?
The molecular weight of Hexakis(benzylthio)benzene is 810.16 g/mol.
Where can I buy Hexakis(benzylthio)benzene?
You can request a quote for Hexakis(benzylthio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexakis(benzylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for Hexakis(benzylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.