2,6-二硫脲酸
TL;DR: 2,6-二硫脲酸 (CAS 6703-93-1) is a chemical compound with molecular formula C5H4N4OS2 and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二硫脲酸
2,6-bis(sulfanylidene)-7,9-dihydro-3H-purin-8-one
Also Known As: 2,6-dithiouric acid, 2,6-dithio-8-oxypurine, NCIStruc1_000203, NCIStruc2_000292, 8-Hydroxy-2,6-dimercaptopurine
| Molecular Formula | C5H4N4OS2 |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 0.97138 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.98265 |
| Heavy Atoms | 12 |
| Complexity | 585.4945 |
Chemical Identifiers
| CAS Number | 6703-93-1 |
|---|---|
| SMILES | C12=C(NC(=O)N1)NC(=S)NC2=S |
Product Overview
2,6-二硫脲酸 (CAS 6703-93-1), with molecular formula C5H4N4OS2 and molecular weight 199.98 g/mol. IUPAC: 2,6-bis(sulfanylidene)-7,9-dihydro-3H-purin-8-one.
Chemical Property Profile of 2,6-二硫脲酸
Property Insights of 2,6-二硫脲酸
The XLogP value of 0.97138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-二硫脲酸. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-二硫脲酸. Following Lipinski's Rule of Five, 2,6-二硫脲酸 has 4 hydrogen bond donor(s) and 3 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 2,6-二硫脲酸?
The CAS number of 2,6-二硫脲酸 is 6703-93-1.
What is the molecular formula of 2,6-二硫脲酸?
The molecular formula of 2,6-二硫脲酸 is C5H4N4OS2.
What is the molecular weight of 2,6-二硫脲酸?
The molecular weight of 2,6-二硫脲酸 is 199.98 g/mol.
Where can I buy 2,6-二硫脲酸?
You can request a quote for 2,6-二硫脲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二硫脲酸?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二硫脲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.