Benzene, ((6-phenoxyhexyl)thio)-
TL;DR: Benzene, ((6-phenoxyhexyl)thio)- (CAS 59950-13-9) is a chemical compound with molecular formula C18H22OS and molecular weight 286.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenoxyhexylsulfanylbenzene
Also Known As: Benzene, ((6-phenoxyhexyl)thio)-, 6-phenoxyhexylsulfanylbenzene, Benzene,[(6-phenoxyhexyl)thio]-, [(6-phenoxyhexyl)sulfanyl]benzene
| Molecular Formula | C18H22OS |
|---|---|
| Molecular Weight | 286.14 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 286.13913 |
| Heavy Atoms | 20 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 59950-13-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCCCCSC2=CC=CC=C2 |
| InChIKey | QBYPTDYUHGKQFO-UHFFFAOYSA-N |
Product Overview
Benzene, ((6-phenoxyhexyl)thio)- (CAS 59950-13-9), with molecular formula C18H22OS and molecular weight 286.14 g/mol. IUPAC: 6-phenoxyhexylsulfanylbenzene.
Chemical Property Profile of Benzene, ((6-phenoxyhexyl)thio)-
Property Insights of Benzene, ((6-phenoxyhexyl)thio)-
The XLogP value of 5.5 indicates that Benzene, ((6-phenoxyhexyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, Benzene, ((6-phenoxyhexyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, ((6-phenoxyhexyl)thio)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, ((6-phenoxyhexyl)thio)-?
The CAS number of Benzene, ((6-phenoxyhexyl)thio)- is 59950-13-9.
What is the molecular formula of Benzene, ((6-phenoxyhexyl)thio)-?
The molecular formula of Benzene, ((6-phenoxyhexyl)thio)- is C18H22OS.
What is the molecular weight of Benzene, ((6-phenoxyhexyl)thio)-?
The molecular weight of Benzene, ((6-phenoxyhexyl)thio)- is 286.14 g/mol.
Where can I buy Benzene, ((6-phenoxyhexyl)thio)-?
You can request a quote for Benzene, ((6-phenoxyhexyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, ((6-phenoxyhexyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, ((6-phenoxyhexyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.