Thiochroman-4-one
TL;DR: Thiochroman-4-one (CAS 3528-17-4) is a chemical compound with molecular formula C9H8OS and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydrothiochromen-4-one
Also Known As: Thiochroman-4-one, 2,3-dihydrothiochromen-4-one, thiochromanone, 4-thiochromanone, thiochroman-4-on
| Molecular Formula | C9H8OS |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.02959 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 3528-17-4 |
|---|---|
| SMILES | C1CSC2=CC=CC=C2C1=O |
| InChIKey | CVQSWZMJOGOPAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiochroman-4-one (CAS 3528-17-4), with molecular formula C9H8OS and molecular weight 164.03 g/mol. IUPAC: 2,3-dihydrothiochromen-4-one.
Chemical Property Profile of Thiochroman-4-one
Property Insights of Thiochroman-4-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiochroman-4-one. With a topological polar surface area (TPSA) of 42.4 Ų, Thiochroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiochroman-4-one 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 Thiochroman-4-one?
The CAS number of Thiochroman-4-one is 3528-17-4.
What is the molecular formula of Thiochroman-4-one?
The molecular formula of Thiochroman-4-one is C9H8OS.
What is the molecular weight of Thiochroman-4-one?
The molecular weight of Thiochroman-4-one is 164.03 g/mol.
Where can I buy Thiochroman-4-one?
You can request a quote for Thiochroman-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiochroman-4-one?
Yes, KEHONG BIO provides custom synthesis services for Thiochroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.