Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide
TL;DR: Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide (CAS 33024-48-5) is a chemical compound with molecular formula C7H12FN3O6S2 and molecular weight 317.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
Also Known As: Urea, S,S,S',S'-tetraoxide, 5-19-08-00349 (Beilstein Handbook Reference), 1-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea, 3-(m-Dithian-5-yl)-1-(2-fluoroethyl)-1-nitrosourea S,S,S',S'-tetraoxide, Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide
| Molecular Formula | C7H12FN3O6S2 |
|---|---|
| Molecular Weight | 317.02 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.01517 |
| Heavy Atoms | 19 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 33024-48-5 |
|---|---|
| SMILES | C1C(CS(=O)(=O)CS1(=O)=O)NC(=O)N(CCF)N=O |
| InChIKey | HWTNAOPQOYUMFC-UHFFFAOYSA-N |
Product Overview
Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide (CAS 33024-48-5), with molecular formula C7H12FN3O6S2 and molecular weight 317.02 g/mol. IUPAC: 1-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea.
Chemical Property Profile of Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide
Property Insights of Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide
The XLogP value of -1.2 indicates that Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide has 1 hydrogen bond donor(s) and 8 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 Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide?
The CAS number of Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide is 33024-48-5.
What is the molecular formula of Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide?
The molecular formula of Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide is C7H12FN3O6S2.
What is the molecular weight of Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide?
The molecular weight of Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide is 317.02 g/mol.
Where can I buy Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide?
You can request a quote for Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide?
Yes, KEHONG BIO provides custom synthesis services for Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.