Thioflavin
TL;DR: Thioflavin (CAS 5961-99-9) 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-phenyl-3,4-dihydro-2H-thiochromene
Also Known As: thioflavan, 2-phenyl-3,4-dihydro-2H-thiochromene, 2-PHENYLTHIOCHROMAN, NRYGFMAOIPXXBW-UHFFFAOYSA-, 2-phenyl-3,4-dihydro-2H-1-benzothiopyran
| Molecular Formula | C15H14S |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.08162 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 5961-99-9 |
|---|---|
| SMILES | C1CC2=CC=CC=C2SC1C3=CC=CC=C3 |
| InChIKey | NRYGFMAOIPXXBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thioflavin (CAS 5961-99-9), with molecular formula C15H14S and molecular weight 226.08 g/mol. IUPAC: 2-phenyl-3,4-dihydro-2H-thiochromene.
Chemical Property Profile of Thioflavin
Property Insights of Thioflavin
The XLogP value of 4.4 indicates that Thioflavin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Thioflavin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioflavin 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 Thioflavin?
The CAS number of Thioflavin is 5961-99-9.
What is the molecular formula of Thioflavin?
The molecular formula of Thioflavin is C15H14S.
What is the molecular weight of Thioflavin?
The molecular weight of Thioflavin is 226.08 g/mol.
Where can I buy Thioflavin?
You can request a quote for Thioflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioflavin?
Yes, KEHONG BIO provides custom synthesis services for Thioflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.