Phenol, o-(isobutylthio)-
TL;DR: Phenol, o-(isobutylthio)- (CAS 29549-65-3) is a chemical compound with molecular formula C10H14OS and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropylsulfanyl)phenol
Also Known As: Phenol, o-(isobutylthio)-, 2-(Isobutylthio)phenol, 2-(Isobutylsulfanyl)phenol #, 2-(2-methylpropylsulfanyl)phenol, Phenol, 2-[(2-methylpropyl)thio]-
| Molecular Formula | C10H14OS |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.07654 |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 29549-65-3 |
|---|---|
| SMILES | CC(C)CSC1=CC=CC=C1O |
| InChIKey | DQSRXSPHQKTAQB-UHFFFAOYSA-N |
Product Overview
Phenol, o-(isobutylthio)- (CAS 29549-65-3), with molecular formula C10H14OS and molecular weight 182.08 g/mol. IUPAC: 2-(2-methylpropylsulfanyl)phenol.
Chemical Property Profile of Phenol, o-(isobutylthio)-
Property Insights of Phenol, o-(isobutylthio)-
The XLogP value of 3.4 indicates that Phenol, o-(isobutylthio)- 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-(isobutylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, o-(isobutylthio)- 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-(isobutylthio)-?
The CAS number of Phenol, o-(isobutylthio)- is 29549-65-3.
What is the molecular formula of Phenol, o-(isobutylthio)-?
The molecular formula of Phenol, o-(isobutylthio)- is C10H14OS.
What is the molecular weight of Phenol, o-(isobutylthio)-?
The molecular weight of Phenol, o-(isobutylthio)- is 182.08 g/mol.
Where can I buy Phenol, o-(isobutylthio)-?
You can request a quote for Phenol, o-(isobutylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, o-(isobutylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, o-(isobutylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.