4H-1-苯并硫代吡喃-4-酮1,1-二氧化物
TL;DR: 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物 (CAS 22810-27-1) is a chemical compound with molecular formula C9H6O3S and molecular weight 194.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4H-1-苯并硫代吡喃-4-酮1,1-二氧化物
1,1-dioxothiochromen-4-one
Also Known As: thiochromone-1,1-dioxide, 1,1-dioxothiochromen-4-one, 1-thiochromone 1,1-dioxide, 4H-1-Benzothiopyran-4-one 1,1-dioxide, 4H-thiochromen-4-one 1,1-dioxide
| Molecular Formula | C9H6O3S |
|---|---|
| Molecular Weight | 194.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.00377 |
| Heavy Atoms | 13 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 22810-27-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=CS2(=O)=O |
| InChIKey | RXBWQAAHJROHAR-UHFFFAOYSA-N |
Product Overview
4H-1-苯并硫代吡喃-4-酮1,1-二氧化物 (CAS 22810-27-1), with molecular formula C9H6O3S and molecular weight 194.00 g/mol. IUPAC: 1,1-dioxothiochromen-4-one.
Chemical Property Profile of 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物
Property Insights of 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物. With a topological polar surface area (TPSA) of 59.6 Ų, 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物 has 0 hydrogen bond donor(s) and 3 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-苯并硫代吡喃-4-酮1,1-二氧化物?
The CAS number of 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物 is 22810-27-1.
What is the molecular formula of 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物?
The molecular formula of 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物 is C9H6O3S.
What is the molecular weight of 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物?
The molecular weight of 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物 is 194.00 g/mol.
Where can I buy 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物?
You can request a quote for 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-苯并硫代吡喃-4-酮1,1-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.