as-Triazine-6-carboxylic acid, 3-sulfeno-
TL;DR: as-Triazine-6-carboxylic acid, 3-sulfeno- (CAS 63868-92-8) is a chemical compound with molecular formula C4H3N3O3S and molecular weight 172.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxysulfanyl-1,2,4-triazine-6-carboxylic acid
Also Known As: as-Triazine-6-carboxylic acid, 3-sulfeno-, 3-Sulfeno-1,2,4-triazine-6-carboxylic acid, 1,2,4-Triazine-6-carboxylic acid, 3-sulfeno-, 3-Mercapto-5-hydroxy-1,2,4-triazino-6-carboxylic acid, 3-(hydroxysulfanyl)-1,2,4-triazine-6-carboxylic acid
| Molecular Formula | C4H3N3O3S |
|---|---|
| Molecular Weight | 172.99 g/mol |
| LogP | 0.1349 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.98952 |
| Heavy Atoms | 11 |
| Complexity | 261.78973 |
Chemical Identifiers
| CAS Number | 63868-92-8 |
|---|---|
| SMILES | C1=C(N=NC(=N1)SO)C(=O)O |
Product Overview
as-Triazine-6-carboxylic acid, 3-sulfeno- (CAS 63868-92-8), with molecular formula C4H3N3O3S and molecular weight 172.99 g/mol. IUPAC: 3-hydroxysulfanyl-1,2,4-triazine-6-carboxylic acid.
Chemical Property Profile of as-Triazine-6-carboxylic acid, 3-sulfeno-
Property Insights of as-Triazine-6-carboxylic acid, 3-sulfeno-
The XLogP value of 0.1349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for as-Triazine-6-carboxylic acid, 3-sulfeno-. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for as-Triazine-6-carboxylic acid, 3-sulfeno-. Following Lipinski's Rule of Five, as-Triazine-6-carboxylic acid, 3-sulfeno- has 2 hydrogen bond donor(s) and 6 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-6-carboxylic acid, 3-sulfeno-?
The CAS number of as-Triazine-6-carboxylic acid, 3-sulfeno- is 63868-92-8.
What is the molecular formula of as-Triazine-6-carboxylic acid, 3-sulfeno-?
The molecular formula of as-Triazine-6-carboxylic acid, 3-sulfeno- is C4H3N3O3S.
What is the molecular weight of as-Triazine-6-carboxylic acid, 3-sulfeno-?
The molecular weight of as-Triazine-6-carboxylic acid, 3-sulfeno- is 172.99 g/mol.
Where can I buy as-Triazine-6-carboxylic acid, 3-sulfeno-?
You can request a quote for as-Triazine-6-carboxylic acid, 3-sulfeno- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for as-Triazine-6-carboxylic acid, 3-sulfeno-?
Yes, KEHONG BIO provides custom synthesis services for as-Triazine-6-carboxylic acid, 3-sulfeno- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.