对(苯硫基)苯甲醇
TL;DR: 对(苯硫基)苯甲醇 (CAS 6317-56-2) 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.
对(苯硫基)苯甲醇
(4-phenylsulfanylphenyl)methanol
Also Known As: (4-(phenylthio)phenyl)methanol, p-(Phenylthio)benzyl alcohol, 4-(Phenylthio)benzyl Alcohol, (4-phenylsulfanylphenyl)methanol, 4-(Phenylthio)benzenemethanol
| Molecular Formula | C13H12OS |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.06088 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 6317-56-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=C(C=C2)CO |
| InChIKey | PGOAWMRWDZJQTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对(苯硫基)苯甲醇 (CAS 6317-56-2), with molecular formula C13H12OS and molecular weight 216.06 g/mol. IUPAC: (4-phenylsulfanylphenyl)methanol.
Chemical Property Profile of 对(苯硫基)苯甲醇
Property Insights of 对(苯硫基)苯甲醇
The XLogP value of 3.1 indicates that 对(苯硫基)苯甲醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 对(苯硫基)苯甲醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对(苯硫基)苯甲醇 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 对(苯硫基)苯甲醇?
The CAS number of 对(苯硫基)苯甲醇 is 6317-56-2.
What is the molecular formula of 对(苯硫基)苯甲醇?
The molecular formula of 对(苯硫基)苯甲醇 is C13H12OS.
What is the molecular weight of 对(苯硫基)苯甲醇?
The molecular weight of 对(苯硫基)苯甲醇 is 216.06 g/mol.
Where can I buy 对(苯硫基)苯甲醇?
You can request a quote for 对(苯硫基)苯甲醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对(苯硫基)苯甲醇?
Yes, KEHONG BIO provides custom synthesis services for 对(苯硫基)苯甲醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.