2-Methyl-2H-1,4-benzothiazin-3(4H)-one
TL;DR: 2-Methyl-2H-1,4-benzothiazin-3(4H)-one (CAS 7028-57-1) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4H-1,4-benzothiazin-3-one
Also Known As: 2-Methyl-2H-1,4-benzothiazin-3(4H)-one, 2-Methyl-2H-benzo[b][1,4]thiazin-3(4H)-one, 2-methyl-4H-1,4-benzothiazin-3-one, 2-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one, 2-Methyl-4H-benzo[1,4]thiazin-3-one
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.1193 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 324.0595 |
Chemical Identifiers
| CAS Number | 7028-57-1 |
|---|---|
| SMILES | CC1C(=O)NC2=CC=CC=C2S1 |
Product Overview
2-Methyl-2H-1,4-benzothiazin-3(4H)-one (CAS 7028-57-1), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 2-methyl-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 2-Methyl-2H-1,4-benzothiazin-3(4H)-one
Property Insights of 2-Methyl-2H-1,4-benzothiazin-3(4H)-one
The XLogP value of 2.1193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2H-1,4-benzothiazin-3(4H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Methyl-2H-1,4-benzothiazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2H-1,4-benzothiazin-3(4H)-one has 1 hydrogen bond donor(s) and 2 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 2-Methyl-2H-1,4-benzothiazin-3(4H)-one?
The CAS number of 2-Methyl-2H-1,4-benzothiazin-3(4H)-one is 7028-57-1.
What is the molecular formula of 2-Methyl-2H-1,4-benzothiazin-3(4H)-one?
The molecular formula of 2-Methyl-2H-1,4-benzothiazin-3(4H)-one is C9H9NOS.
What is the molecular weight of 2-Methyl-2H-1,4-benzothiazin-3(4H)-one?
The molecular weight of 2-Methyl-2H-1,4-benzothiazin-3(4H)-one is 179.04 g/mol.
Where can I buy 2-Methyl-2H-1,4-benzothiazin-3(4H)-one?
You can request a quote for 2-Methyl-2H-1,4-benzothiazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2H-1,4-benzothiazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2H-1,4-benzothiazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.