硝虫噻嗪
TL;DR: 硝虫噻嗪 (CAS 58842-20-9) is a chemical compound with molecular formula C5H8N2O2S and molecular weight 160.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝虫噻嗪
2-(nitromethylidene)-1,3-thiazinane
Also Known As: Nithiazine, 2-(nitromethylidene)-1,3-thiazinane, 2-(nitromethylene)-1,3-thiazinane, (2E)-2-(nitromethylidene)-1,3-thiazinane, tetrahydro-2-(nitromethylene)-1,3thiazine
| Molecular Formula | C5H8N2O2S |
|---|---|
| Molecular Weight | 160.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.03065 |
| Heavy Atoms | 10 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 58842-20-9 |
|---|---|
| SMILES | C1CNC(=C[N+](=O)[O-])SC1 |
| InChIKey | LZTIMERBDGGAJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝虫噻嗪 (CAS 58842-20-9), with molecular formula C5H8N2O2S and molecular weight 160.03 g/mol. IUPAC: 2-(nitromethylidene)-1,3-thiazinane.
Chemical Property Profile of 硝虫噻嗪
Property Insights of 硝虫噻嗪
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝虫噻嗪. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝虫噻嗪. Following Lipinski's Rule of Five, 硝虫噻嗪 has 1 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 硝虫噻嗪?
The CAS number of 硝虫噻嗪 is 58842-20-9.
What is the molecular formula of 硝虫噻嗪?
The molecular formula of 硝虫噻嗪 is C5H8N2O2S.
What is the molecular weight of 硝虫噻嗪?
The molecular weight of 硝虫噻嗪 is 160.03 g/mol.
Where can I buy 硝虫噻嗪?
You can request a quote for 硝虫噻嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝虫噻嗪?
Yes, KEHONG BIO provides custom synthesis services for 硝虫噻嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.