![[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea structure](/static/products/6960/6960-27-6.webp)
[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea
TL;DR: [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea (CAS 6960-27-6) is a chemical compound with molecular formula C5H5N5O3S and molecular weight 215.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)iminothiourea
Also Known As: [ amino]thiourea|Alloxan-5-thiosemicarbazone|[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]thiourea|pyrimidine-2,4,5,6(1h,3h)-tetrone 5-thiosemicarbazone|1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)thiosemicarbazide|2-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)hydrazinecarbothioamide|2-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)hydrazine-1-carbothioamide|EN300-8781024
| Molecular Formula | C5H5N5O3S |
|---|---|
| Molecular Weight | 215.01 g/mol |
| LogP | -0.9039 |
| Topological Polar Surface Area | 136.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.0113 |
| Heavy Atoms | 14 |
| Complexity | 500.82394 |
Chemical Identifiers
| CAS Number | 6960-27-6 |
|---|---|
| SMILES | C1(=C(NC(=O)NC1=O)O)N=NC(=S)N |
Product Overview
[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea (CAS 6960-27-6), with molecular formula C5H5N5O3S and molecular weight 215.01 g/mol. IUPAC: (6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)iminothiourea.
Chemical Property Profile of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea
Property Insights of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea
The XLogP value of -0.9039 indicates that [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.69 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea. Following Lipinski's Rule of Five, [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea has 4 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 [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea?
The CAS number of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea is 6960-27-6.
What is the molecular formula of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea?
The molecular formula of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea is C5H5N5O3S.
What is the molecular weight of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea?
The molecular weight of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea is 215.01 g/mol.
Where can I buy [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea?
You can request a quote for [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.