4-Isopropylbenzenethiol
TL;DR: 4-Isopropylbenzenethiol (CAS 4946-14-9) is a chemical compound with molecular formula C9H12S and molecular weight 152.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylbenzenethiol
Also Known As: 4-Isopropylthiophenol, 4-Isopropylbenzenethiol, (4-Isopropyl)thiophenol, 4-isoPropyl thiophenol, isopropylbenzenethiol
| Molecular Formula | C9H12S |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.06598 |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 4946-14-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)S |
| InChIKey | APDUDRFJNCIWAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylbenzenethiol (CAS 4946-14-9), with molecular formula C9H12S and molecular weight 152.07 g/mol. IUPAC: 4-propan-2-ylbenzenethiol.
Chemical Property Profile of 4-Isopropylbenzenethiol
Property Insights of 4-Isopropylbenzenethiol
The XLogP value of 3.4 indicates that 4-Isopropylbenzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 4-Isopropylbenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylbenzenethiol 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 4-Isopropylbenzenethiol?
The CAS number of 4-Isopropylbenzenethiol is 4946-14-9.
What is the molecular formula of 4-Isopropylbenzenethiol?
The molecular formula of 4-Isopropylbenzenethiol is C9H12S.
What is the molecular weight of 4-Isopropylbenzenethiol?
The molecular weight of 4-Isopropylbenzenethiol is 152.07 g/mol.
Where can I buy 4-Isopropylbenzenethiol?
You can request a quote for 4-Isopropylbenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylbenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylbenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.