![5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/878/878976-76-2.png)
5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 878976-76-2) is a chemical compound with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-hydroxy-N,1,3-trimethyl-2,6-dioxopyrimidine-5-carboximidothioate
Also Known As: 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-((benzylthio)(methylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[benzylsulfanyl(methylamino)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 1,3-dimethyl-5-[(methylamino)(phenylmethylthio)methylene]-1,3-dihydropyrimidin e-2,4,6-trione
| Molecular Formula | C15H17N3O3S |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.09906 |
| Heavy Atoms | 22 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 878976-76-2 |
|---|---|
| SMILES | CN=C(C1=C(N(C(=O)N(C1=O)C)C)O)SCC2=CC=CC=C2 |
| InChIKey | JYGYZWBOHXJAJU-UHFFFAOYSA-N |
Product Overview
5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 878976-76-2), with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol. IUPAC: benzyl 4-hydroxy-N,1,3-trimethyl-2,6-dioxopyrimidine-5-carboximidothioate.
Chemical Property Profile of 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione 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 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 878976-76-2.
What is the molecular formula of 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C15H17N3O3S.
What is the molecular weight of 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 319.10 g/mol.
Where can I buy 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(benzylsulfanyl)(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.