3-methyl-2H-1,4-benzothiazine
TL;DR: 3-methyl-2H-1,4-benzothiazine (CAS 117504-05-9) is a chemical compound with molecular formula C9H9NS and molecular weight 163.04558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2H-1,4-benzothiazine
Also Known As: 3-methyl-2H-1,4-benzothiazine, 3-methyl-2H-benzo[b][1,4]thiazine, J3.656.143B
Technical Specifications
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.04558 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 37.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.04558 Da |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
| SMILES | CC1=NC2=CC=CC=C2SC1 |
| InChIKey | PYLDSNOIJTYMGD-UHFFFAOYSA-N |
Chemical Property Profile of 3-methyl-2H-1,4-benzothiazine
Property Insights of 3-methyl-2H-1,4-benzothiazine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-2H-1,4-benzothiazine. With a topological polar surface area (TPSA) of 37.7 Ų, 3-methyl-2H-1,4-benzothiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-2H-1,4-benzothiazine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-methyl-2H-1,4-benzothiazine?
The CAS number of 3-methyl-2H-1,4-benzothiazine is 117504-05-9.
What is the molecular formula of 3-methyl-2H-1,4-benzothiazine?
The molecular formula of 3-methyl-2H-1,4-benzothiazine is C9H9NS.
What is the molecular weight of 3-methyl-2H-1,4-benzothiazine?
The molecular weight of 3-methyl-2H-1,4-benzothiazine is 163.04558 g/mol.
Where can I buy 3-methyl-2H-1,4-benzothiazine?
You can request a quote for 3-methyl-2H-1,4-benzothiazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methyl-2H-1,4-benzothiazine?
Yes, CoreyChem provides custom synthesis services for 3-methyl-2H-1,4-benzothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.