as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-
TL;DR: as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)- (CAS 4968-47-2) is a chemical compound with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butylsulfanyl-6H-1,2,4-triazine-3,5-dione
Also Known As: 6-Butylthio-6-azauracil, 6-(Butylthio)-as-triazine-3,5(2H,4H)-dione, 6-butylsulfanyl-6H-1,2,4-triazine-3,5-dione, as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-, 6-butylsulfanyl-2H-1,2,4-triazine-3,5-dione
| Molecular Formula | C7H11N3O2S |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.0572 |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 4968-47-2 |
|---|---|
| SMILES | CCCCSC1C(=O)NC(=O)N=N1 |
| InChIKey | TWKNNDREUIYLEO-UHFFFAOYSA-N |
Product Overview
as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)- (CAS 4968-47-2), with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol. IUPAC: 6-butylsulfanyl-6H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-
Property Insights of as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-. Following Lipinski's Rule of Five, as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)- has 1 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 as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-?
The CAS number of as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)- is 4968-47-2.
What is the molecular formula of as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-?
The molecular formula of as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)- is C7H11N3O2S.
What is the molecular weight of as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-?
The molecular weight of as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)- is 201.06 g/mol.
Where can I buy as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-?
You can request a quote for as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-?
Yes, KEHONG BIO provides custom synthesis services for as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.