Pentamethylbenzenethiol
TL;DR: Pentamethylbenzenethiol (CAS 42448-56-6) is a chemical compound with molecular formula C11H16S and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentamethylbenzenethiol
Also Known As: pentamethylbenzenethiol, pentamethylbenzene-1-thiol, 2,3,4,5,6-pentamethylbenzenethiol, 2,3,4,5,6-Pentamethylthiophenol
| Molecular Formula | C11H16S |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 3.5174 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.09727 |
| Heavy Atoms | 12 |
| Complexity | 219.26889 |
Chemical Identifiers
| CAS Number | 42448-56-6 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)S)C)C |
Product Overview
Pentamethylbenzenethiol (CAS 42448-56-6), with molecular formula C11H16S and molecular weight 180.10 g/mol. IUPAC: 2,3,4,5,6-pentamethylbenzenethiol.
Chemical Property Profile of Pentamethylbenzenethiol
Property Insights of Pentamethylbenzenethiol
The XLogP value of 3.5174 indicates that Pentamethylbenzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentamethylbenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentamethylbenzenethiol has 1 hydrogen bond donor(s) and 1 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 Pentamethylbenzenethiol?
The CAS number of Pentamethylbenzenethiol is 42448-56-6.
What is the molecular formula of Pentamethylbenzenethiol?
The molecular formula of Pentamethylbenzenethiol is C11H16S.
What is the molecular weight of Pentamethylbenzenethiol?
The molecular weight of Pentamethylbenzenethiol is 180.10 g/mol.
Where can I buy Pentamethylbenzenethiol?
You can request a quote for Pentamethylbenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamethylbenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for Pentamethylbenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.