as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)-
TL;DR: as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)- (CAS 4956-11-0) is a chemical compound with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenylsulfanyl-6H-1,2,4-triazine-3,5-dione
Also Known As: 5-Phenylthio-6-azauracil, 5-Hydrazino-6-azauracil, 6-(Phenylthio)-as-triazine-3,5(2H,4H)-dione, as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)-, 6-phenylsulfanyl-6H-1,2,4-triazine-3,5-dione
| Molecular Formula | C9H7N3O2S |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.0259 |
| Heavy Atoms | 15 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 4956-11-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2C(=O)NC(=O)N=N2 |
| InChIKey | XCHQMLGPNWTLHC-UHFFFAOYSA-N |
Product Overview
as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)- (CAS 4956-11-0), with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol. IUPAC: 6-phenylsulfanyl-6H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)-
Property Insights of as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)-. 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-(phenylthio)-. Following Lipinski's Rule of Five, as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)- 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-(phenylthio)-?
The CAS number of as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)- is 4956-11-0.
What is the molecular formula of as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)-?
The molecular formula of as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)- is C9H7N3O2S.
What is the molecular weight of as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)-?
The molecular weight of as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)- is 221.03 g/mol.
Where can I buy as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)-?
You can request a quote for as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)- 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-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.