(5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one
TL;DR: (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one (CAS 591241-39-3) is a chemical compound with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-4-hydroxy-5-nitrosoimidazole-2-thione
Also Known As: ChemDiv3_005025, IDI1_022935, AN-988/41531640, 1,3-diethyl-2-thioxoimidazolidine-4,5-dione 4-oxime, 4,5-Imidazolidinedione,1,3-diethyl-2-thioxo-,4-oxime
| Molecular Formula | C7H11N3O2S |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.0572 |
| Heavy Atoms | 13 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 591241-39-3 |
|---|---|
| SMILES | CCN1C(=C(N(C1=S)CC)O)N=O |
| InChIKey | KKAYFHGBVVGSMH-UHFFFAOYSA-N |
Product Overview
(5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one (CAS 591241-39-3), with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol. IUPAC: 1,3-diethyl-4-hydroxy-5-nitrosoimidazole-2-thione.
Chemical Property Profile of (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one
Property Insights of (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-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 (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one?
The CAS number of (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one is 591241-39-3.
What is the molecular formula of (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one?
The molecular formula of (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one is C7H11N3O2S.
What is the molecular weight of (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one?
The molecular weight of (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one is 201.06 g/mol.
Where can I buy (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one?
You can request a quote for (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1,3-diethyl-5-(hydroxyimino)-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.