4-Methoxy-6-nitro-1,3-benzothiazol-2-amine
TL;DR: 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine (CAS 16668-45-4) is a chemical compound with molecular formula C8H7N3O3S and molecular weight 225.02081 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxy-6-nitro-1,3-benzothiazol-2-amine
Also Known As: 4-methoxy-6-nitro-1,3-benzothiazol-2-amine, 4-Methoxy-6-nitro-benzothiazol-2-ylamine, 2-benzothiazolamine, 4-methoxy-6-nitro-, 4-Methoxy-6-nitro-benzothiazol-2-amine, 4-methoxy-6-nitrobenzo[d]thiazol-2-amine
Technical Specifications
| Molecular Formula | C8H7N3O3S |
| Molecular Weight | 225.02081 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.02081 Da |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
| SMILES | COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)N |
| InChIKey | CPKIXPBVHIJAIR-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine
Property Insights of 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine. Following Lipinski's Rule of Five, 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine?
The CAS number of 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine is 16668-45-4.
What is the molecular formula of 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine?
The molecular formula of 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine is C8H7N3O3S.
What is the molecular weight of 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine?
The molecular weight of 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine is 225.02081 g/mol.
Where can I buy 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine?
You can request a quote for 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine?
Yes, CoreyChem provides custom synthesis services for 4-Methoxy-6-nitro-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.