![2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione structure](/static/products/6424/64247-60-5.webp)
2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione
TL;DR: 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione (CAS 64247-60-5) is a chemical compound with molecular formula C10H5NS3 and molecular weight 234.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-thia-3-azatricyclo[6.4.0.02,7]dodeca-1(12),2,8,10-tetraene-4,6-dithione
Also Known As: 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione, 4aH-benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4-dithione
| Molecular Formula | C10H5NS3 |
|---|---|
| Molecular Weight | 234.96 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.95842 |
| Heavy Atoms | 14 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 64247-60-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3C2=NC(=S)SC3=S |
| InChIKey | YGOPPQFZAXLXBR-UHFFFAOYSA-N |
Product Overview
2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione (CAS 64247-60-5), with molecular formula C10H5NS3 and molecular weight 234.96 g/mol. IUPAC: 5-thia-3-azatricyclo[6.4.0.02,7]dodeca-1(12),2,8,10-tetraene-4,6-dithione.
Chemical Property Profile of 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione
Property Insights of 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione. Following Lipinski's Rule of Five, 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-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 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione?
The CAS number of 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione is 64247-60-5.
What is the molecular formula of 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione?
The molecular formula of 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione is C10H5NS3.
What is the molecular weight of 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione?
The molecular weight of 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione is 234.96 g/mol.
Where can I buy 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione?
You can request a quote for 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4(4aH)-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.