2-Methyl-1-phenylpropane-1-thiol
TL;DR: 2-Methyl-1-phenylpropane-1-thiol (CAS 113682-52-3) 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-1-phenylpropane-1-thiol
Also Known As: 2-Methyl-1-phenylpropane-1-thiol, 2-methyl-1-phenyl-propane-1-thiol, 842-648-4, RefChem:474926
| Molecular Formula | C10H14S |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 3.3135 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.08162 |
| Heavy Atoms | 11 |
| Complexity | 203.37257 |
Chemical Identifiers
| CAS Number | 113682-52-3 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)S |
Product Overview
2-Methyl-1-phenylpropane-1-thiol (CAS 113682-52-3), with molecular formula C10H14S and molecular weight 166.08 g/mol. IUPAC: 2-methyl-1-phenylpropane-1-thiol.
Chemical Property Profile of 2-Methyl-1-phenylpropane-1-thiol
Property Insights of 2-Methyl-1-phenylpropane-1-thiol
The XLogP value of 3.3135 indicates that 2-Methyl-1-phenylpropane-1-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methyl-1-phenylpropane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-phenylpropane-1-thiol 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-1-phenylpropane-1-thiol?
The CAS number of 2-Methyl-1-phenylpropane-1-thiol is 113682-52-3.
What is the molecular formula of 2-Methyl-1-phenylpropane-1-thiol?
The molecular formula of 2-Methyl-1-phenylpropane-1-thiol is C10H14S.
What is the molecular weight of 2-Methyl-1-phenylpropane-1-thiol?
The molecular weight of 2-Methyl-1-phenylpropane-1-thiol is 166.08 g/mol.
Where can I buy 2-Methyl-1-phenylpropane-1-thiol?
You can request a quote for 2-Methyl-1-phenylpropane-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-phenylpropane-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-phenylpropane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.