![6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione structure](/static/products/5208/52083-11-1.webp)
6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
TL;DR: 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione (CAS 52083-11-1) is a chemical compound with molecular formula C12H6O3S and molecular weight 230.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-sulfanyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
Also Known As: 4-mercapto-1,8-naphthalic anhydride, 6-mercaptobenzo[de]isochromene-1,3-dione, 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione, 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-mercapto-, 6-mercapto-1H,3H-benzo[de]isochromene-1,3-dione
| Molecular Formula | C12H6O3S |
|---|---|
| Molecular Weight | 230.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.00377 |
| Heavy Atoms | 16 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 52083-11-1 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)S |
| InChIKey | PQVNEWCHEGZDPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione (CAS 52083-11-1), with molecular formula C12H6O3S and molecular weight 230.00 g/mol. IUPAC: 8-sulfanyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.
Chemical Property Profile of 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
Property Insights of 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione. With a topological polar surface area (TPSA) of 44.4 Ų, 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione has 1 hydrogen bond donor(s) and 4 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 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?
The CAS number of 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione is 52083-11-1.
What is the molecular formula of 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?
The molecular formula of 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione is C12H6O3S.
What is the molecular weight of 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?
The molecular weight of 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione is 230.00 g/mol.
Where can I buy 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?
You can request a quote for 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.