7H-purin-6-ylmethyl carbamimidothioate
TL;DR: 7H-purin-6-ylmethyl carbamimidothioate (CAS 3496-21-7) is a chemical compound with molecular formula C7H8N6S and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7H-purin-6-ylmethyl carbamimidothioate
Also Known As: 7H-purin-6-ylmethyl carbamimidothioate, 7H-purin-6-ylmethylsulfanylmethanimidamide, Pseudourea, 2-(purin-6-ylmethyl)-2-thio- (7CI,8CI)
| Molecular Formula | C7H8N6S |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 0.47957 |
| Topological Polar Surface Area | 104.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.05312 |
| Heavy Atoms | 14 |
| Complexity | 463.9029 |
Chemical Identifiers
| CAS Number | 3496-21-7 |
|---|---|
| SMILES | C1=NC2=NC=NC(=C2N1)CSC(=N)N |
Product Overview
7H-purin-6-ylmethyl carbamimidothioate (CAS 3496-21-7), with molecular formula C7H8N6S and molecular weight 208.05 g/mol. IUPAC: 7H-purin-6-ylmethyl carbamimidothioate.
Chemical Property Profile of 7H-purin-6-ylmethyl carbamimidothioate
Property Insights of 7H-purin-6-ylmethyl carbamimidothioate
The XLogP value of 0.47957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-purin-6-ylmethyl carbamimidothioate. The TPSA of 104.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-purin-6-ylmethyl carbamimidothioate. Following Lipinski's Rule of Five, 7H-purin-6-ylmethyl carbamimidothioate has 3 hydrogen bond donor(s) and 5 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 7H-purin-6-ylmethyl carbamimidothioate?
The CAS number of 7H-purin-6-ylmethyl carbamimidothioate is 3496-21-7.
What is the molecular formula of 7H-purin-6-ylmethyl carbamimidothioate?
The molecular formula of 7H-purin-6-ylmethyl carbamimidothioate is C7H8N6S.
What is the molecular weight of 7H-purin-6-ylmethyl carbamimidothioate?
The molecular weight of 7H-purin-6-ylmethyl carbamimidothioate is 208.05 g/mol.
Where can I buy 7H-purin-6-ylmethyl carbamimidothioate?
You can request a quote for 7H-purin-6-ylmethyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-purin-6-ylmethyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 7H-purin-6-ylmethyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.