5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-
TL;DR: 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)- (CAS 30531-08-9) is a chemical compound with molecular formula C11H9NO2S2 and molecular weight 251.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-1,3-thiazine-4,6-dione
Also Known As: 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-, 2-(Benzylthio)-5H-1,3-thiazine-4,6-dione, 2-benzylsulfanyl-1,3-thiazine-4,6-dione, 2-(Benzylsulfanyl)-4H-1,3-thiazine-4,6(5H)-dione, 2-benzylthio-4,6-dioxo-5,6-dihydro-4h-1,3-thiazine
| Molecular Formula | C11H9NO2S2 |
|---|---|
| Molecular Weight | 251.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.00748 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 30531-08-9 |
|---|---|
| SMILES | C1C(=O)N=C(SC1=O)SCC2=CC=CC=C2 |
| InChIKey | IASGZQREPXNBJR-UHFFFAOYSA-N |
Product Overview
5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)- (CAS 30531-08-9), with molecular formula C11H9NO2S2 and molecular weight 251.01 g/mol. IUPAC: 2-benzylsulfanyl-1,3-thiazine-4,6-dione.
Chemical Property Profile of 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-
Property Insights of 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-. Following Lipinski's Rule of Five, 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)- 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
Frequently Asked Questions
What is the CAS number of 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-?
The CAS number of 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)- is 30531-08-9.
What is the molecular formula of 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-?
The molecular formula of 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)- is C11H9NO2S2.
What is the molecular weight of 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-?
The molecular weight of 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)- is 251.01 g/mol.
Where can I buy 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-?
You can request a quote for 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.