对苯硫基苯甲醛
TL;DR: 对苯硫基苯甲醛 (CAS 1208-88-4) is a chemical compound with molecular formula C13H10OS and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对苯硫基苯甲醛
4-phenylsulfanylbenzaldehyde
Also Known As: 4-(Phenylthio)benzaldehyde, 4-phenylsulfanylbenzaldehyde, 4-(phenylsulfanyl)benzaldehyde, p-Phenylthiobenzaldehyde, p-(Phenylthio)benzaldehyde
| Molecular Formula | C13H10OS |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.04524 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 1208-88-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=C(C=C2)C=O |
| InChIKey | VDNBWBPUFMZCEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对苯硫基苯甲醛 (CAS 1208-88-4), with molecular formula C13H10OS and molecular weight 214.05 g/mol. IUPAC: 4-phenylsulfanylbenzaldehyde.
Chemical Property Profile of 对苯硫基苯甲醛
Property Insights of 对苯硫基苯甲醛
The XLogP value of 3.5 indicates that 对苯硫基苯甲醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 对苯硫基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对苯硫基苯甲醛 has 0 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 对苯硫基苯甲醛?
The CAS number of 对苯硫基苯甲醛 is 1208-88-4.
What is the molecular formula of 对苯硫基苯甲醛?
The molecular formula of 对苯硫基苯甲醛 is C13H10OS.
What is the molecular weight of 对苯硫基苯甲醛?
The molecular weight of 对苯硫基苯甲醛 is 214.05 g/mol.
Where can I buy 对苯硫基苯甲醛?
You can request a quote for 对苯硫基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对苯硫基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 对苯硫基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.