1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione
TL;DR: 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione (CAS 40016-42-0) is a chemical compound with molecular formula C6H6N4O2S2 and molecular weight 229.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitro-1,3-thiazol-2-yl)imidazolidine-2-thione
Also Known As: 1- imidazolidine-2-thione, 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione, EINECS 254-750-0, 1-(5-nitro-1,3-thiazol-2-yl)imidazolidine-2-thione, 1-(5-Nitro-2-thiazolyl)-2-imidazolidinethione
| Molecular Formula | C6H6N4O2S2 |
|---|---|
| Molecular Weight | 229.99 g/mol |
| LogP | 0.7458 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.99323 |
| Heavy Atoms | 14 |
| Complexity | 390.93814 |
Chemical Identifiers
| CAS Number | 40016-42-0 |
|---|---|
| SMILES | C1CN(C(=S)N1)C2=NC=C(S2)[N+](=O)[O-] |
Product Overview
1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione (CAS 40016-42-0), with molecular formula C6H6N4O2S2 and molecular weight 229.99 g/mol. IUPAC: 1-(5-nitro-1,3-thiazol-2-yl)imidazolidine-2-thione.
Chemical Property Profile of 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione
Property Insights of 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione
The XLogP value of 0.7458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione. Following Lipinski's Rule of Five, 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione has 1 hydrogen bond donor(s) and 5 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 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione?
The CAS number of 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione is 40016-42-0.
What is the molecular formula of 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione?
The molecular formula of 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione is C6H6N4O2S2.
What is the molecular weight of 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione?
The molecular weight of 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione is 229.99 g/mol.
Where can I buy 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione?
You can request a quote for 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.