2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)-
TL;DR: 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)- (CAS 94050-50-7) is a chemical compound with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(nitromethylidene)-4H-1,3-thiazine-3-carbaldehyde
Also Known As: WL 108477, (2E)-2-(nitromethylidene)-4H-1,3-thiazine-3-carbaldehyde, 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)-, (2E)-2-(Nitromethylene)-2H-1,3-thiazine-3(4H)-carbaldehyde
| Molecular Formula | C6H6N2O3S |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 0.7809 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00992 |
| Heavy Atoms | 12 |
| Complexity | 261.5188 |
Chemical Identifiers
| CAS Number | 94050-50-7 |
|---|---|
| SMILES | C1C=CS/C(=C/[N+](=O)[O-])/N1C=O |
Product Overview
2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)- (CAS 94050-50-7), with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol. IUPAC: (2E)-2-(nitromethylidene)-4H-1,3-thiazine-3-carbaldehyde.
Chemical Property Profile of 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)-
Property Insights of 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)-
The XLogP value of 0.7809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)-. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)-. Following Lipinski's Rule of Five, 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)- 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 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)-?
The CAS number of 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)- is 94050-50-7.
What is the molecular formula of 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)-?
The molecular formula of 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)- is C6H6N2O3S.
What is the molecular weight of 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)-?
The molecular weight of 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)- is 186.01 g/mol.
Where can I buy 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)-?
You can request a quote for 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Thiazine-3(4H)-carboxaldehyde, dihydro-2-(nitromethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.