6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one
TL;DR: 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one (CAS 22706-15-6) is a chemical compound with molecular formula C8H8N4OS and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 6-(4-amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one, 4-amino-5-(2-hydroxyphenyl)-4H-1,2,4-triazole-3-thione, 2-(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol, 4-amino-5-(2-hydroxyphenyl)-2h-1,2,4-triazole-3(4h)-thione, 4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C8H8N4OS |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.02709 |
| Topological Polar Surface Area | 79.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.04189 |
| Heavy Atoms | 14 |
| Complexity | 516.055 |
Chemical Identifiers
| CAS Number | 22706-15-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2N)O |
Product Overview
6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one (CAS 22706-15-6), with molecular formula C8H8N4OS and molecular weight 208.04 g/mol. IUPAC: 4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one
Property Insights of 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one
The XLogP value of 1.02709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one. The TPSA of 79.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one. Following Lipinski's Rule of Five, 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one has 3 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 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one?
The CAS number of 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one is 22706-15-6.
What is the molecular formula of 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one?
The molecular formula of 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one is C8H8N4OS.
What is the molecular weight of 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one?
The molecular weight of 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one is 208.04 g/mol.
Where can I buy 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one?
You can request a quote for 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.