4-Methyl-2H-1,4-benzothiazine-3(4H)-thione
TL;DR: 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione (CAS 39639-85-5) is a chemical compound with molecular formula C9H9NS2 and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1,4-benzothiazine-3-thione
Also Known As: 4-methyl-1,4-benzothiazine-3-thione, 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione, 4-methyl-4H-benzo[1,4]thiazine-3-thione, NCI60_017114
| Molecular Formula | C9H9NS2 |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.01764 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 39639-85-5 |
|---|---|
| SMILES | CN1C(=S)CSC2=CC=CC=C21 |
| InChIKey | MYEVHRBQACPKKF-UHFFFAOYSA-N |
Product Overview
4-Methyl-2H-1,4-benzothiazine-3(4H)-thione (CAS 39639-85-5), with molecular formula C9H9NS2 and molecular weight 195.02 g/mol. IUPAC: 4-methyl-1,4-benzothiazine-3-thione.
Chemical Property Profile of 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione
Property Insights of 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione. Following Lipinski's Rule of Five, 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione 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
Frequently Asked Questions
What is the CAS number of 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione?
The CAS number of 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione is 39639-85-5.
What is the molecular formula of 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione?
The molecular formula of 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione is C9H9NS2.
What is the molecular weight of 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione?
The molecular weight of 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione is 195.02 g/mol.
Where can I buy 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione?
You can request a quote for 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2H-1,4-benzothiazine-3(4H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.