2-Phenyl-1-isoindolinethione
TL;DR: 2-Phenyl-1-isoindolinethione (CAS 89313-76-8) is a chemical compound with molecular formula C14H11NS and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-3H-isoindole-1-thione
Also Known As: 2-phenyl-1-isoindolinethione, 2-phenyl-3H-isoindole-1-thione, 1H-Isoindole-1-thione, 2,3-dihydro-2-phenyl-, 2-phenyl-2,3-dihydro-1H-isoindole-1-thione
| Molecular Formula | C14H11NS |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 3.3823 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.06122 |
| Heavy Atoms | 16 |
| Complexity | 533.4414 |
Chemical Identifiers
| CAS Number | 89313-76-8 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=S)N1C3=CC=CC=C3 |
Product Overview
2-Phenyl-1-isoindolinethione (CAS 89313-76-8), with molecular formula C14H11NS and molecular weight 225.06 g/mol. IUPAC: 2-phenyl-3H-isoindole-1-thione.
Chemical Property Profile of 2-Phenyl-1-isoindolinethione
Property Insights of 2-Phenyl-1-isoindolinethione
The XLogP value of 3.3823 indicates that 2-Phenyl-1-isoindolinethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 2-Phenyl-1-isoindolinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1-isoindolinethione has 0 hydrogen bond donor(s) and 1 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-isoindolinethione?
The CAS number of 2-Phenyl-1-isoindolinethione is 89313-76-8.
What is the molecular formula of 2-Phenyl-1-isoindolinethione?
The molecular formula of 2-Phenyl-1-isoindolinethione is C14H11NS.
What is the molecular weight of 2-Phenyl-1-isoindolinethione?
The molecular weight of 2-Phenyl-1-isoindolinethione is 225.06 g/mol.
Where can I buy 2-Phenyl-1-isoindolinethione?
You can request a quote for 2-Phenyl-1-isoindolinethione 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-isoindolinethione?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1-isoindolinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.