2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate
TL;DR: 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate (CAS 339197-92-1) is a chemical compound with molecular formula C8H12N8S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-amino-7H-purin-8-yl)amino]ethyl carbamimidothioate
Also Known As: 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate, 2-((6-Amino-1H-purin-8-yl)amino)ethylcarbamimidothioate, 2-((6-amino-9H-purin-8-yl)amino)ethyl carbamimidothioate, 2-[(6-amino-7H-purin-8-yl)amino]ethyl carbamimidothioate, 2-[(6-amino-9H-purin-8-yl)amino]ethyl imidothiocarbamate
| Molecular Formula | C8H12N8S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | -0.02633 |
| Topological Polar Surface Area | 142.38 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.09056 |
| Heavy Atoms | 17 |
| Complexity | 535.30475 |
Chemical Identifiers
| CAS Number | 339197-92-1 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N=C(N2)NCCSC(=N)N)N |
Product Overview
2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate (CAS 339197-92-1), with molecular formula C8H12N8S and molecular weight 252.09 g/mol. IUPAC: 2-[(6-amino-7H-purin-8-yl)amino]ethyl carbamimidothioate.
Chemical Property Profile of 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate
Property Insights of 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate
The XLogP value of -0.02633 indicates that 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.38 Ų indicates high polarity, suggesting 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate has 5 hydrogen bond donor(s) and 7 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-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate?
The CAS number of 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate is 339197-92-1.
What is the molecular formula of 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate?
The molecular formula of 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate is C8H12N8S.
What is the molecular weight of 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate?
The molecular weight of 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate is 252.09 g/mol.
Where can I buy 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate?
You can request a quote for 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-Amino-1H-purin-8-yl)amino)ethyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.