3-phenyl-3H-2-benzofuran-1-thione
TL;DR: 3-phenyl-3H-2-benzofuran-1-thione (CAS 163226-46-8) is a chemical compound with molecular formula C14H10OS and molecular weight 226.04524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-3H-2-benzofuran-1-thione
Also Known As: 3-phenylthiophthalide, 3-phenyl-3H-2-benzofuran-1-thione, 3-Phenyl-1(3H)-isobenzofuranthione, 3-phenyl-2-benzofuran-1(3H)-thione, 3-phenyl-3H-isobenzofuran-1-thione
Technical Specifications
| Molecular Formula | C14H10OS |
| Molecular Weight | 226.04524 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.04524 Da |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
| SMILES | C1=CC=C(C=C1)C2C3=CC=CC=C3C(=S)O2 |
| InChIKey | RNCSPIDDRUOJCL-UHFFFAOYSA-N |
Chemical Property Profile of 3-phenyl-3H-2-benzofuran-1-thione
Property Insights of 3-phenyl-3H-2-benzofuran-1-thione
The XLogP value of 3.2 indicates that 3-phenyl-3H-2-benzofuran-1-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, 3-phenyl-3H-2-benzofuran-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-3H-2-benzofuran-1-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
What is the CAS number of 3-phenyl-3H-2-benzofuran-1-thione?
The CAS number of 3-phenyl-3H-2-benzofuran-1-thione is 163226-46-8.
What is the molecular formula of 3-phenyl-3H-2-benzofuran-1-thione?
The molecular formula of 3-phenyl-3H-2-benzofuran-1-thione is C14H10OS.
What is the molecular weight of 3-phenyl-3H-2-benzofuran-1-thione?
The molecular weight of 3-phenyl-3H-2-benzofuran-1-thione is 226.04524 g/mol.
Where can I buy 3-phenyl-3H-2-benzofuran-1-thione?
You can request a quote for 3-phenyl-3H-2-benzofuran-1-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-phenyl-3H-2-benzofuran-1-thione?
Yes, CoreyChem provides custom synthesis services for 3-phenyl-3H-2-benzofuran-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.