2-Phenyl-1-benzopyran-4(4H)-thione
TL;DR: 2-Phenyl-1-benzopyran-4(4H)-thione (CAS 5465-04-3) is a chemical compound with molecular formula C15H10OS and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylchromene-4-thione
Also Known As: 4-thioflavone, 2-phenylchromene-4-thione, Flavone, 4-thio-, 2-phenyl-4h-chromene-4-thione, 2-Phenyl-4H-1-benzopyran-4-thione
| Molecular Formula | C15H10OS |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.04524 |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 5465-04-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=S)C3=CC=CC=C3O2 |
| InChIKey | BWAGQNPYTNMEJP-UHFFFAOYSA-N |
Product Overview
2-Phenyl-1-benzopyran-4(4H)-thione (CAS 5465-04-3), with molecular formula C15H10OS and molecular weight 238.05 g/mol. IUPAC: 2-phenylchromene-4-thione.
Chemical Property Profile of 2-Phenyl-1-benzopyran-4(4H)-thione
Property Insights of 2-Phenyl-1-benzopyran-4(4H)-thione
The XLogP value of 4.2 indicates that 2-Phenyl-1-benzopyran-4(4H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, 2-Phenyl-1-benzopyran-4(4H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1-benzopyran-4(4H)-thione 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 2-Phenyl-1-benzopyran-4(4H)-thione?
The CAS number of 2-Phenyl-1-benzopyran-4(4H)-thione is 5465-04-3.
What is the molecular formula of 2-Phenyl-1-benzopyran-4(4H)-thione?
The molecular formula of 2-Phenyl-1-benzopyran-4(4H)-thione is C15H10OS.
What is the molecular weight of 2-Phenyl-1-benzopyran-4(4H)-thione?
The molecular weight of 2-Phenyl-1-benzopyran-4(4H)-thione is 238.05 g/mol.
Where can I buy 2-Phenyl-1-benzopyran-4(4H)-thione?
You can request a quote for 2-Phenyl-1-benzopyran-4(4H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1-benzopyran-4(4H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1-benzopyran-4(4H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.