4-(1,3-Dithian-2-yl)phenol
TL;DR: 4-(1,3-Dithian-2-yl)phenol (CAS 57529-05-2) is a chemical compound with molecular formula C10H12OS2 and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dithian-2-yl)phenol
Also Known As: 4-(1,3-dithian-2-yl)phenol, p-(m-Dithian-2-yl)phenol, 2-(4-Hydroxyphenyl)-1,3-dithiane, 4-[1,3]dithian-2-yl-phenol, NIOSH/SL3535000
| Molecular Formula | C10H12OS2 |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 3.2609 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.03296 |
| Heavy Atoms | 13 |
| Complexity | 264.75818 |
Chemical Identifiers
| CAS Number | 57529-05-2 |
|---|---|
| SMILES | C1CSC(SC1)C2=CC=C(C=C2)O |
Product Overview
4-(1,3-Dithian-2-yl)phenol (CAS 57529-05-2), with molecular formula C10H12OS2 and molecular weight 212.03 g/mol. IUPAC: 4-(1,3-dithian-2-yl)phenol.
Chemical Property Profile of 4-(1,3-Dithian-2-yl)phenol
Property Insights of 4-(1,3-Dithian-2-yl)phenol
The XLogP value of 3.2609 indicates that 4-(1,3-Dithian-2-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 4-(1,3-Dithian-2-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Dithian-2-yl)phenol has 1 hydrogen bond donor(s) and 3 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 4-(1,3-Dithian-2-yl)phenol?
The CAS number of 4-(1,3-Dithian-2-yl)phenol is 57529-05-2.
What is the molecular formula of 4-(1,3-Dithian-2-yl)phenol?
The molecular formula of 4-(1,3-Dithian-2-yl)phenol is C10H12OS2.
What is the molecular weight of 4-(1,3-Dithian-2-yl)phenol?
The molecular weight of 4-(1,3-Dithian-2-yl)phenol is 212.03 g/mol.
Where can I buy 4-(1,3-Dithian-2-yl)phenol?
You can request a quote for 4-(1,3-Dithian-2-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dithian-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithian-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.