3-Isopropylthiophenol
TL;DR: 3-Isopropylthiophenol (CAS 178959-93-8) 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.
3-propan-2-ylbenzenethiol
Also Known As: 3-Isopropylthiophenol, 3-iso-Propylthiophenol, 3-propan-2-ylbenzenethiol, 3-Isopropylbenzenethiol, 3-(propan-2-yl)benzene-1-thiol
| Molecular Formula | C9H12S |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | 3.3 |
| 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 | 98.0 |
Chemical Identifiers
| CAS Number | 178959-93-8 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)S |
| InChIKey | AELUMDDQRLJQRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isopropylthiophenol (CAS 178959-93-8), with molecular formula C9H12S and molecular weight 152.07 g/mol. IUPAC: 3-propan-2-ylbenzenethiol.
Chemical Property Profile of 3-Isopropylthiophenol
Property Insights of 3-Isopropylthiophenol
The XLogP value of 3.3 indicates that 3-Isopropylthiophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 3-Isopropylthiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropylthiophenol 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 3-Isopropylthiophenol?
The CAS number of 3-Isopropylthiophenol is 178959-93-8.
What is the molecular formula of 3-Isopropylthiophenol?
The molecular formula of 3-Isopropylthiophenol is C9H12S.
What is the molecular weight of 3-Isopropylthiophenol?
The molecular weight of 3-Isopropylthiophenol is 152.07 g/mol.
Where can I buy 3-Isopropylthiophenol?
You can request a quote for 3-Isopropylthiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropylthiophenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropylthiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.