2-Methyl-6-propan-2-ylbenzenethiol
TL;DR: 2-Methyl-6-propan-2-ylbenzenethiol (CAS 500351-75-7) is a chemical compound with molecular formula C10H14S and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-propan-2-ylbenzenethiol
Also Known As: 2-methyl-6-propan-2-ylbenzenethiol, 2-Isopropyl-6-methylbenzenethiol, Benzenethiol,2-methyl-6- -, 2-Methyl-6-(propan-2-yl)benzene-1-thiol, BENZENETHIOL, 2-METHYL-6-(1-METHYLETHYL)-
| Molecular Formula | C10H14S |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.08162 |
| Heavy Atoms | 11 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 500351-75-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(C)C)S |
| InChIKey | YOJOYESIJDAHHW-UHFFFAOYSA-N |
Product Overview
2-Methyl-6-propan-2-ylbenzenethiol (CAS 500351-75-7), with molecular formula C10H14S and molecular weight 166.08 g/mol. IUPAC: 2-methyl-6-propan-2-ylbenzenethiol.
Chemical Property Profile of 2-Methyl-6-propan-2-ylbenzenethiol
Property Insights of 2-Methyl-6-propan-2-ylbenzenethiol
The XLogP value of 3.6 indicates that 2-Methyl-6-propan-2-ylbenzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2-Methyl-6-propan-2-ylbenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-6-propan-2-ylbenzenethiol 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 2-Methyl-6-propan-2-ylbenzenethiol?
The CAS number of 2-Methyl-6-propan-2-ylbenzenethiol is 500351-75-7.
What is the molecular formula of 2-Methyl-6-propan-2-ylbenzenethiol?
The molecular formula of 2-Methyl-6-propan-2-ylbenzenethiol is C10H14S.
What is the molecular weight of 2-Methyl-6-propan-2-ylbenzenethiol?
The molecular weight of 2-Methyl-6-propan-2-ylbenzenethiol is 166.08 g/mol.
Where can I buy 2-Methyl-6-propan-2-ylbenzenethiol?
You can request a quote for 2-Methyl-6-propan-2-ylbenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6-propan-2-ylbenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-propan-2-ylbenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.