Phenol, o-(isopentylthio)-
TL;DR: Phenol, o-(isopentylthio)- (CAS 29549-67-5) is a chemical compound with molecular formula C11H16OS and molecular weight 196.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutylsulfanyl)phenol
Also Known As: o- phenol, Phenol, o-(isopentylthio)-, o-(Isopentylthio)phenol, 2-(isopentylthio)phenol, 2-(Isopentylsulfanyl)phenol
| Molecular Formula | C11H16OS |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0922 |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 29549-67-5 |
|---|---|
| SMILES | CC(C)CCSC1=CC=CC=C1O |
| InChIKey | RGUQSMKPPXZEGX-UHFFFAOYSA-N |
Product Overview
Phenol, o-(isopentylthio)- (CAS 29549-67-5), with molecular formula C11H16OS and molecular weight 196.09 g/mol. IUPAC: 2-(3-methylbutylsulfanyl)phenol.
Chemical Property Profile of Phenol, o-(isopentylthio)-
Property Insights of Phenol, o-(isopentylthio)-
The XLogP value of 3.8 indicates that Phenol, o-(isopentylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, Phenol, o-(isopentylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, o-(isopentylthio)- has 1 hydrogen bond donor(s) and 2 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 Phenol, o-(isopentylthio)-?
The CAS number of Phenol, o-(isopentylthio)- is 29549-67-5.
What is the molecular formula of Phenol, o-(isopentylthio)-?
The molecular formula of Phenol, o-(isopentylthio)- is C11H16OS.
What is the molecular weight of Phenol, o-(isopentylthio)-?
The molecular weight of Phenol, o-(isopentylthio)- is 196.09 g/mol.
Where can I buy Phenol, o-(isopentylthio)-?
You can request a quote for Phenol, o-(isopentylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, o-(isopentylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, o-(isopentylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.