1-(1-Adamantyl)-5-mercaptotetrazol
TL;DR: 1-(1-Adamantyl)-5-mercaptotetrazol (CAS 58473-97-5) is a chemical compound with molecular formula C11H16N4S and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-2H-tetrazole-5-thione
Also Known As: 1-(1-adamantyl)-5-mercaptotetrazol, 1-(1-adamantyl)-2H-tetrazole-5-thione, 1-(Adamantan-1-yl)-1H-tetrazole-5-thiol, 1-(1-adamantyl) tetrazol-5-thione, Tetrazole-5-thiol, 1-(1-adamantyl)-
| Molecular Formula | C11H16N4S |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 2.26099 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.10957 |
| Heavy Atoms | 16 |
| Complexity | 439.04495 |
Chemical Identifiers
| CAS Number | 58473-97-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N4C(=S)N=NN4 |
Product Overview
1-(1-Adamantyl)-5-mercaptotetrazol (CAS 58473-97-5), with molecular formula C11H16N4S and molecular weight 236.11 g/mol. IUPAC: 1-(1-adamantyl)-2H-tetrazole-5-thione.
Chemical Property Profile of 1-(1-Adamantyl)-5-mercaptotetrazol
Property Insights of 1-(1-Adamantyl)-5-mercaptotetrazol
The XLogP value of 2.26099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Adamantyl)-5-mercaptotetrazol. With a topological polar surface area (TPSA) of 46.5 Ų, 1-(1-Adamantyl)-5-mercaptotetrazol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Adamantyl)-5-mercaptotetrazol 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 1-(1-Adamantyl)-5-mercaptotetrazol?
The CAS number of 1-(1-Adamantyl)-5-mercaptotetrazol is 58473-97-5.
What is the molecular formula of 1-(1-Adamantyl)-5-mercaptotetrazol?
The molecular formula of 1-(1-Adamantyl)-5-mercaptotetrazol is C11H16N4S.
What is the molecular weight of 1-(1-Adamantyl)-5-mercaptotetrazol?
The molecular weight of 1-(1-Adamantyl)-5-mercaptotetrazol is 236.11 g/mol.
Where can I buy 1-(1-Adamantyl)-5-mercaptotetrazol?
You can request a quote for 1-(1-Adamantyl)-5-mercaptotetrazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Adamantyl)-5-mercaptotetrazol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Adamantyl)-5-mercaptotetrazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.