![N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide structure](/static/products/1306/130639-74-6.webp)
N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide
TL;DR: N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide (CAS 130639-74-6) is a chemical compound with molecular formula C15H17NO5S and molecular weight 323.08273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide
Also Known As: N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide, Acetamide, N-(1,2,5,5a,6,9,9a,9b-octahydro-4-methyl-6,9-dioxonaphtho(2,1-b)thien-8-yl)-, S,S-dioxide, N-(4-Methyl-3,3,6,9-tetraoxo-2,3,5,5a,6,9,9a,9b-octahydro-1H-3lambda~6~-naphtho[2,1-b]thiophen-8-yl)ethanimidic acid, N-(4-methyl-3,3-dioxido-6,9-dioxo-1,2,5,5a,6,9,9a,9b-octahydronaphtho[2,1-b]thiophen-8-yl)acetamide, BRN 4761657
Technical Specifications
| Molecular Formula | C15H17NO5S |
| Molecular Weight | 323.08273 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.08273 Da |
| Heavy Atoms | 22 |
| Complexity | 753.0 |
| SMILES | CC1=C2C(CCS2(=O)=O)C3C(C1)C(=O)C=C(C3=O)NC(=O)C |
| InChIKey | RLZYDTPAYBFXDE-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide
Property Insights of N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide
The XLogP value of -0.9 indicates that N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide. Following Lipinski's Rule of Five, N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide?
The CAS number of N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide is 130639-74-6.
What is the molecular formula of N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide?
The molecular formula of N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide is C15H17NO5S.
What is the molecular weight of N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide?
The molecular weight of N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide is 323.08273 g/mol.
Where can I buy N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide?
You can request a quote for N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide?
Yes, CoreyChem provides custom synthesis services for N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.