NCIOpen2_007342
TL;DR: NCIOpen2_007342 (CAS 14161-06-9) is a chemical compound with molecular formula C6H7N5O2S and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2,4-dioxo-1H-pyrimidin-6-yl)methylideneamino]thiourea
Also Known As: NCIOpen2_007342, [(2,4-dioxo-1H-pyrimidin-6-yl)methylideneamino]thiourea, [(E)-(2,4-dioxo-1H-pyrimidin-6-yl)methylideneamino]thiourea, Hydrazinecarbothioamide,2-[(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)methylene]-
| Molecular Formula | C6H7N5O2S |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | -1.7697 |
| Topological Polar Surface Area | 116.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.03204 |
| Heavy Atoms | 14 |
| Complexity | 445.35046 |
Chemical Identifiers
| CAS Number | 14161-06-9 |
|---|---|
| SMILES | C1=C(NC(=O)NC1=O)C=NNC(=S)N |
Product Overview
NCIOpen2_007342 (CAS 14161-06-9), with molecular formula C6H7N5O2S and molecular weight 213.03 g/mol. IUPAC: [(2,4-dioxo-1H-pyrimidin-6-yl)methylideneamino]thiourea.
Chemical Property Profile of NCIOpen2_007342
Property Insights of NCIOpen2_007342
The XLogP value of -1.7697 indicates that NCIOpen2_007342 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.13 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_007342. Following Lipinski's Rule of Five, NCIOpen2_007342 has 4 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_007342?
The CAS number of NCIOpen2_007342 is 14161-06-9.
What is the molecular formula of NCIOpen2_007342?
The molecular formula of NCIOpen2_007342 is C6H7N5O2S.
What is the molecular weight of NCIOpen2_007342?
The molecular weight of NCIOpen2_007342 is 213.03 g/mol.
Where can I buy NCIOpen2_007342?
You can request a quote for NCIOpen2_007342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007342?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.