9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)-
TL;DR: 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)- (CAS 91142-01-7) is a chemical compound with molecular formula C11H12N4S and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-cyclohex-2-en-1-yl-3H-purine-6-thione
Also Known As: 6H-Purine-6-thione,9-dihydro-, 9-cyclohex-2-en-1-yl-3H-purine-6-thione, 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)-, 9-(Cyclohex-2-en-1-yl)-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C11H12N4S |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 2.77009 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.07826 |
| Heavy Atoms | 16 |
| Complexity | 595.29553 |
Chemical Identifiers
| CAS Number | 91142-01-7 |
|---|---|
| SMILES | C1CC=CC(C1)N2C=NC3=C2NC=NC3=S |
Product Overview
9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)- (CAS 91142-01-7), with molecular formula C11H12N4S and molecular weight 232.08 g/mol. IUPAC: 9-cyclohex-2-en-1-yl-3H-purine-6-thione.
Chemical Property Profile of 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)-
Property Insights of 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)-
The XLogP value of 2.77009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)-. With a topological polar surface area (TPSA) of 46.5 Ų, 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)- has 1 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 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)-?
The CAS number of 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)- is 91142-01-7.
What is the molecular formula of 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)-?
The molecular formula of 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)- is C11H12N4S.
What is the molecular weight of 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)-?
The molecular weight of 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)- is 232.08 g/mol.
Where can I buy 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)-?
You can request a quote for 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-6-thiol, 9-(2-cyclohexen-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.