1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea
TL;DR: 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea (CAS 5472-55-9) is a chemical compound with molecular formula C9H14N4O3S and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea
Also Known As: 1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea, N-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N'-ethylthiourea
| Molecular Formula | C9H14N4O3S |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | -1.1106 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.07867 |
| Heavy Atoms | 17 |
| Complexity | 360.43726 |
Chemical Identifiers
| CAS Number | 5472-55-9 |
|---|---|
| SMILES | CCNC(=S)NC1C(=O)N(C(=O)N(C1=O)C)C |
Product Overview
1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea (CAS 5472-55-9), with molecular formula C9H14N4O3S and molecular weight 258.08 g/mol. IUPAC: 1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea.
Chemical Property Profile of 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea
Property Insights of 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea
The XLogP value of -1.1106 indicates that 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea. Following Lipinski's Rule of Five, 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea has 2 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 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea?
The CAS number of 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea is 5472-55-9.
What is the molecular formula of 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea?
The molecular formula of 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea is C9H14N4O3S.
What is the molecular weight of 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea?
The molecular weight of 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea is 258.08 g/mol.
Where can I buy 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea?
You can request a quote for 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-ethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.