5-(Benzylthio)-6-azauracil
TL;DR: 5-(Benzylthio)-6-azauracil (CAS 4956-07-4) is a chemical compound with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-2H-1,2,4-triazine-3,5-dione
Also Known As: 5-Benzylthio-6-azauracil, 5-(Benzylthio)-6-azauracil, ChemDiv2_003344, as-Triazine-3,5(2H,4H)-dione, 6-(benzylthio)-, 6-(Benzylthio)-as-triazine-3,5(2H,4H)-dione
| Molecular Formula | C10H9N3O2S |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.04155 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 4956-07-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NNC(=O)NC2=O |
| InChIKey | OIJCGUQZJJNSLM-UHFFFAOYSA-N |
Product Overview
5-(Benzylthio)-6-azauracil (CAS 4956-07-4), with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol. IUPAC: 6-benzylsulfanyl-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 5-(Benzylthio)-6-azauracil
Property Insights of 5-(Benzylthio)-6-azauracil
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzylthio)-6-azauracil. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzylthio)-6-azauracil. Following Lipinski's Rule of Five, 5-(Benzylthio)-6-azauracil 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 5-(Benzylthio)-6-azauracil?
The CAS number of 5-(Benzylthio)-6-azauracil is 4956-07-4.
What is the molecular formula of 5-(Benzylthio)-6-azauracil?
The molecular formula of 5-(Benzylthio)-6-azauracil is C10H9N3O2S.
What is the molecular weight of 5-(Benzylthio)-6-azauracil?
The molecular weight of 5-(Benzylthio)-6-azauracil is 235.04 g/mol.
Where can I buy 5-(Benzylthio)-6-azauracil?
You can request a quote for 5-(Benzylthio)-6-azauracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzylthio)-6-azauracil?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylthio)-6-azauracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.