NCIOpen2_005844
TL;DR: NCIOpen2_005844 (CAS 18149-57-0) is a chemical compound with molecular formula C8H11N5O2S and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]-3-methylthiourea
Also Known As: NCIOpen2_005844, 1-[(E)-2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]-3-methylt, 1-[2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]-3-methylthiourea, HYDRAZINECARBOTHIOAMIDE,2-[2-(3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)ETHYLIDENE]-N-METHYL-
| Molecular Formula | C8H11N5O2S |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | -1.3837 |
| Topological Polar Surface Area | 91.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.06334 |
| Heavy Atoms | 16 |
| Complexity | 503.6404 |
Chemical Identifiers
| CAS Number | 18149-57-0 |
|---|---|
| SMILES | CNC(=S)NN=CCN1C=CC(=O)NC1=O |
Product Overview
NCIOpen2_005844 (CAS 18149-57-0), with molecular formula C8H11N5O2S and molecular weight 241.06 g/mol. IUPAC: 1-[2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]-3-methylthiourea.
Chemical Property Profile of NCIOpen2_005844
Property Insights of NCIOpen2_005844
The XLogP value of -1.3837 indicates that NCIOpen2_005844 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.28 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_005844. Following Lipinski's Rule of Five, NCIOpen2_005844 has 3 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 NCIOpen2_005844?
The CAS number of NCIOpen2_005844 is 18149-57-0.
What is the molecular formula of NCIOpen2_005844?
The molecular formula of NCIOpen2_005844 is C8H11N5O2S.
What is the molecular weight of NCIOpen2_005844?
The molecular weight of NCIOpen2_005844 is 241.06 g/mol.
Where can I buy NCIOpen2_005844?
You can request a quote for NCIOpen2_005844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_005844?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_005844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.