![1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine structure](/static/products/152/152549-31-0.webp)
1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine
TL;DR: 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine (CAS 152549-31-0) is a chemical compound with molecular formula C14H12N2O2S and molecular weight 272.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,8-trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine
Also Known As: 1,3,8-trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine
Technical Specifications
| Molecular Formula | C14H12N2O2S |
| Molecular Weight | 272.06195 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.06195 Da |
| Heavy Atoms | 19 |
| Complexity | 373.0 |
| SMILES | CC1=CC(=CC2=C1SC3=C2C=C(N=C3C)C)[N+](=O)[O-] |
| InChIKey | KDKZHEFEDDUGLK-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine
Property Insights of 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine
The XLogP value of 4.2 indicates that 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine. Following Lipinski's Rule of Five, 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine?
The CAS number of 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine is 152549-31-0.
What is the molecular formula of 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine?
The molecular formula of 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine is C14H12N2O2S.
What is the molecular weight of 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine?
The molecular weight of 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine is 272.06195 g/mol.
Where can I buy 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine?
You can request a quote for 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine?
Yes, CoreyChem provides custom synthesis services for 1,3,8-Trimethyl-6-nitro-[1]benzothiolo[2,3-c]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.