2-Phenylthioindan
TL;DR: 2-Phenylthioindan (CAS 83094-63-7) is a chemical compound with molecular formula C15H14S and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanyl-2,3-dihydro-1H-indene
Also Known As: 2-Phenylthioindan, 2,3-Dihydro-2-(phenylthio)-1H-indene, 2-phenylsulfanyl-2,3-dihydro-1H-indene, 2-(Phenylsulfanyl)-2,3-dihydro-1H-indene, 2,3-Dihydro-1H-inden-2-yl phenyl sulfide #
| Molecular Formula | C15H14S |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.08162 |
| Heavy Atoms | 16 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 83094-63-7 |
|---|---|
| SMILES | C1C(CC2=CC=CC=C21)SC3=CC=CC=C3 |
| InChIKey | SQTFJRBUKHJTOA-UHFFFAOYSA-N |
Product Overview
2-Phenylthioindan (CAS 83094-63-7), with molecular formula C15H14S and molecular weight 226.08 g/mol. IUPAC: 2-phenylsulfanyl-2,3-dihydro-1H-indene.
Chemical Property Profile of 2-Phenylthioindan
Property Insights of 2-Phenylthioindan
The XLogP value of 4.5 indicates that 2-Phenylthioindan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Phenylthioindan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylthioindan 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-Phenylthioindan?
The CAS number of 2-Phenylthioindan is 83094-63-7.
What is the molecular formula of 2-Phenylthioindan?
The molecular formula of 2-Phenylthioindan is C15H14S.
What is the molecular weight of 2-Phenylthioindan?
The molecular weight of 2-Phenylthioindan is 226.08 g/mol.
Where can I buy 2-Phenylthioindan?
You can request a quote for 2-Phenylthioindan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylthioindan?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylthioindan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.