5-Tert-butyl-2-methylbenzenethiolate
TL;DR: 5-Tert-butyl-2-methylbenzenethiolate (CAS 7340-90-1) is a chemical compound with molecular formula C11H15S- and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-methylbenzenethiolate
Also Known As: 5-tert-Butyl-2-methylthiophenol
| Molecular Formula | C11H15S- |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 3.19832 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.08945 |
| Heavy Atoms | 12 |
| Complexity | 281.54587 |
Chemical Identifiers
| CAS Number | 7340-90-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)(C)C)[S-] |
Product Overview
5-Tert-butyl-2-methylbenzenethiolate (CAS 7340-90-1), with molecular formula C11H15S- and molecular weight 179.09 g/mol. IUPAC: 5-tert-butyl-2-methylbenzenethiolate.
Chemical Property Profile of 5-Tert-butyl-2-methylbenzenethiolate
Property Insights of 5-Tert-butyl-2-methylbenzenethiolate
The XLogP value of 3.19832 indicates that 5-Tert-butyl-2-methylbenzenethiolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Tert-butyl-2-methylbenzenethiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-2-methylbenzenethiolate has 0 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 5-Tert-butyl-2-methylbenzenethiolate?
The CAS number of 5-Tert-butyl-2-methylbenzenethiolate is 7340-90-1.
What is the molecular formula of 5-Tert-butyl-2-methylbenzenethiolate?
The molecular formula of 5-Tert-butyl-2-methylbenzenethiolate is C11H15S-.
What is the molecular weight of 5-Tert-butyl-2-methylbenzenethiolate?
The molecular weight of 5-Tert-butyl-2-methylbenzenethiolate is 179.09 g/mol.
Where can I buy 5-Tert-butyl-2-methylbenzenethiolate?
You can request a quote for 5-Tert-butyl-2-methylbenzenethiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Tert-butyl-2-methylbenzenethiolate?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-2-methylbenzenethiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.