2H-1-Benzopyran-2-thione
TL;DR: 2H-1-Benzopyran-2-thione (CAS 3986-98-9) 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.
chromene-2-thione
Also Known As: 2-Thiocoumarin, 2H-1-Benzopyran-2-thione, Coumarin-2-thione, 2H-Chromene-2-thione, chromene-2-thione
| Molecular Formula | C9H6OS |
|---|---|
| Molecular Weight | 162.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.3 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 | 3986-98-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=S)O2 |
| InChIKey | FRZDLTCXOSFHJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1-Benzopyran-2-thione (CAS 3986-98-9), with molecular formula C9H6OS and molecular weight 162.01 g/mol. IUPAC: chromene-2-thione.
Chemical Property Profile of 2H-1-Benzopyran-2-thione
Property Insights of 2H-1-Benzopyran-2-thione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-2-thione. With a topological polar surface area (TPSA) of 41.3 Ų, 2H-1-Benzopyran-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-thione 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 2H-1-Benzopyran-2-thione?
The CAS number of 2H-1-Benzopyran-2-thione is 3986-98-9.
What is the molecular formula of 2H-1-Benzopyran-2-thione?
The molecular formula of 2H-1-Benzopyran-2-thione is C9H6OS.
What is the molecular weight of 2H-1-Benzopyran-2-thione?
The molecular weight of 2H-1-Benzopyran-2-thione is 162.01 g/mol.
Where can I buy 2H-1-Benzopyran-2-thione?
You can request a quote for 2H-1-Benzopyran-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.