4H-1-Benzothiopyran-4-one
TL;DR: 4H-1-Benzothiopyran-4-one (CAS 491-39-4) is a chemical compound with molecular formula C9H6OS and molecular weight 162.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiochromen-4-one
Also Known As: 1-Thiochromone, 4H-thiochromen-4-one, thiochromen-4-one, 4H-1-Benzothiopyran-4-one, 1-Thiachromone
| Molecular Formula | C9H6OS |
|---|---|
| Molecular Weight | 162.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.01393 |
| Heavy Atoms | 11 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 491-39-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=CS2 |
| InChIKey | DHSYDTXGFJPXKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1-Benzothiopyran-4-one (CAS 491-39-4), with molecular formula C9H6OS and molecular weight 162.01 g/mol. IUPAC: thiochromen-4-one.
Chemical Property Profile of 4H-1-Benzothiopyran-4-one
Property Insights of 4H-1-Benzothiopyran-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzothiopyran-4-one. With a topological polar surface area (TPSA) of 42.4 Ų, 4H-1-Benzothiopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzothiopyran-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 4H-1-Benzothiopyran-4-one?
The CAS number of 4H-1-Benzothiopyran-4-one is 491-39-4.
What is the molecular formula of 4H-1-Benzothiopyran-4-one?
The molecular formula of 4H-1-Benzothiopyran-4-one is C9H6OS.
What is the molecular weight of 4H-1-Benzothiopyran-4-one?
The molecular weight of 4H-1-Benzothiopyran-4-one is 162.01 g/mol.
Where can I buy 4H-1-Benzothiopyran-4-one?
You can request a quote for 4H-1-Benzothiopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzothiopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzothiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.