2-chloro-9H-purin-8-yl hydrosulfide
TL;DR: 2-chloro-9H-purin-8-yl hydrosulfide (CAS 89364-07-8) is a chemical compound with molecular formula C5H3ClN4S and molecular weight 185.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-7,9-dihydropurine-8-thione
Also Known As: 2-chloro-7H-purine-8(9H)-thione, 2-chloropurine-8-thiol, 2-chloro-9H-purin-8-yl hydrosulfide, 2-chloro-7H-purine-8-thiol, 2-Chloro-9H-purine-8-thiol
| Molecular Formula | C5H3ClN4S |
|---|---|
| Molecular Weight | 185.98 g/mol |
| LogP | 1.66889 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.9767 |
| Heavy Atoms | 11 |
| Complexity | 444.9243 |
Chemical Identifiers
| CAS Number | 89364-07-8 |
|---|---|
| SMILES | C1=C2C(=NC(=N1)Cl)NC(=S)N2 |
Product Overview
2-chloro-9H-purin-8-yl hydrosulfide (CAS 89364-07-8), with molecular formula C5H3ClN4S and molecular weight 185.98 g/mol. IUPAC: 2-chloro-7,9-dihydropurine-8-thione.
Chemical Property Profile of 2-chloro-9H-purin-8-yl hydrosulfide
Property Insights of 2-chloro-9H-purin-8-yl hydrosulfide
The XLogP value of 1.66889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-9H-purin-8-yl hydrosulfide. With a topological polar surface area (TPSA) of 57.36 Ų, 2-chloro-9H-purin-8-yl hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-9H-purin-8-yl hydrosulfide has 2 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-chloro-9H-purin-8-yl hydrosulfide?
The CAS number of 2-chloro-9H-purin-8-yl hydrosulfide is 89364-07-8.
What is the molecular formula of 2-chloro-9H-purin-8-yl hydrosulfide?
The molecular formula of 2-chloro-9H-purin-8-yl hydrosulfide is C5H3ClN4S.
What is the molecular weight of 2-chloro-9H-purin-8-yl hydrosulfide?
The molecular weight of 2-chloro-9H-purin-8-yl hydrosulfide is 185.98 g/mol.
Where can I buy 2-chloro-9H-purin-8-yl hydrosulfide?
You can request a quote for 2-chloro-9H-purin-8-yl hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-9H-purin-8-yl hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-9H-purin-8-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.