1-Phenylpropane-1-thiol
TL;DR: 1-Phenylpropane-1-thiol (CAS 76877-93-5) 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.
1-phenylpropane-1-thiol
Also Known As: 1-phenylpropane-1-thiol, phenylpropanethiol, 1-Phenylpropanethiol, 1-mercapto-1-phenylpropane
| Molecular Formula | C9H12S |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | 3.0675 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.06598 |
| Heavy Atoms | 10 |
| Complexity | 181.17957 |
Chemical Identifiers
| CAS Number | 76877-93-5 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)S |
Product Overview
1-Phenylpropane-1-thiol (CAS 76877-93-5), with molecular formula C9H12S and molecular weight 152.07 g/mol. IUPAC: 1-phenylpropane-1-thiol.
Chemical Property Profile of 1-Phenylpropane-1-thiol
Property Insights of 1-Phenylpropane-1-thiol
The XLogP value of 3.0675 indicates that 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, 1-Phenylpropane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 1-Phenylpropane-1-thiol?
The CAS number of 1-Phenylpropane-1-thiol is 76877-93-5.
What is the molecular formula of 1-Phenylpropane-1-thiol?
The molecular formula of 1-Phenylpropane-1-thiol is C9H12S.
What is the molecular weight of 1-Phenylpropane-1-thiol?
The molecular weight of 1-Phenylpropane-1-thiol is 152.07 g/mol.
Where can I buy 1-Phenylpropane-1-thiol?
You can request a quote for 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 1-Phenylpropane-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylpropane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.