4-(Benzylthio)phenol
TL;DR: 4-(Benzylthio)phenol (CAS 30519-03-0) is a chemical compound with molecular formula C13H12OS and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanylphenol
Also Known As: 4-(Benzylthio)phenol, 4-benzylsulfanylphenol, 4-(BENZYLSULFANYL)PHENOL, Phenol, 4-[(phenylmethyl)thio]-, 4-[(Phenylmethyl)thio]phenol
| Molecular Formula | C13H12OS |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 3.6845 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.06088 |
| Heavy Atoms | 15 |
| Complexity | 408.3109 |
Chemical Identifiers
| CAS Number | 30519-03-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=C(C=C2)O |
Product Overview
4-(Benzylthio)phenol (CAS 30519-03-0), with molecular formula C13H12OS and molecular weight 216.06 g/mol. IUPAC: 4-benzylsulfanylphenol.
Chemical Property Profile of 4-(Benzylthio)phenol
Property Insights of 4-(Benzylthio)phenol
The XLogP value of 3.6845 indicates that 4-(Benzylthio)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-(Benzylthio)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzylthio)phenol 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 4-(Benzylthio)phenol?
The CAS number of 4-(Benzylthio)phenol is 30519-03-0.
What is the molecular formula of 4-(Benzylthio)phenol?
The molecular formula of 4-(Benzylthio)phenol is C13H12OS.
What is the molecular weight of 4-(Benzylthio)phenol?
The molecular weight of 4-(Benzylthio)phenol is 216.06 g/mol.
Where can I buy 4-(Benzylthio)phenol?
You can request a quote for 4-(Benzylthio)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylthio)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylthio)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.