![1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione structure](/static/products/913/91384-92-8.png)
1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione
TL;DR: 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione (CAS 91384-92-8) is a chemical compound with molecular formula C12H6S3 and molecular weight 245.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dithione
Also Known As: 1H,3H-benzo[de]isothiochromene-1,3-dithione, 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione, J1.158.895F, AE-508/36396040, 3-thiatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dithione
| Molecular Formula | C12H6S3 |
|---|---|
| Molecular Weight | 245.96 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.96317 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 91384-92-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=S)SC(=S)C3=CC=C2 |
| InChIKey | QQSPONDSXWRHIB-UHFFFAOYSA-N |
Product Overview
1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione (CAS 91384-92-8), with molecular formula C12H6S3 and molecular weight 245.96 g/mol. IUPAC: 3-thiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dithione.
Chemical Property Profile of 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione
Property Insights of 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione
The XLogP value of 4.3 indicates that 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione. Following Lipinski's Rule of Five, 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione 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 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione?
The CAS number of 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione is 91384-92-8.
What is the molecular formula of 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione?
The molecular formula of 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione is C12H6S3.
What is the molecular weight of 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione?
The molecular weight of 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione is 245.96 g/mol.
Where can I buy 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione?
You can request a quote for 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione?
Yes, KEHONG BIO provides custom synthesis services for 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.