(2E)-2-(nitromethylidene)-1,3-thiazinan-4-one
TL;DR: (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one (CAS 97190-72-2) is a chemical compound with molecular formula C5H6N2O3S and molecular weight 174.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(nitromethylidene)-1,3-thiazinan-4-one
Also Known As: (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one
| Molecular Formula | C5H6N2O3S |
|---|---|
| Molecular Weight | 174.01 g/mol |
| LogP | 0.3151 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.00992 |
| Heavy Atoms | 11 |
| Complexity | 225.76743 |
Chemical Identifiers
| CAS Number | 97190-72-2 |
|---|---|
| SMILES | C1CS/C(=C/[N+](=O)[O-])/NC1=O |
Product Overview
(2E)-2-(nitromethylidene)-1,3-thiazinan-4-one (CAS 97190-72-2), with molecular formula C5H6N2O3S and molecular weight 174.01 g/mol. IUPAC: (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one.
Chemical Property Profile of (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one
Property Insights of (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one
The XLogP value of 0.3151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one. Following Lipinski's Rule of Five, (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one 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 (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one?
The CAS number of (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one is 97190-72-2.
What is the molecular formula of (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one?
The molecular formula of (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one is C5H6N2O3S.
What is the molecular weight of (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one?
The molecular weight of (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one is 174.01 g/mol.
Where can I buy (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one?
You can request a quote for (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(nitromethylidene)-1,3-thiazinan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.