1-Benzyl-1H-tetrazole-5-thiol
TL;DR: 1-Benzyl-1H-tetrazole-5-thiol (CAS 33898-72-5) is a chemical compound with molecular formula C8H8N4S and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2H-tetrazole-5-thione
Also Known As: 1-Benzyl-1H-tetrazole-5-thiol, 1-benzyl-2H-tetrazole-5-thione, 1-Benzyl-tetrazol-5-thiol, Maybridge1_007152, 1-benzyl-5-mercaptotetrazole
| Molecular Formula | C8H8N4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.38399 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 430.6596 |
Chemical Identifiers
| CAS Number | 33898-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=S)N=NN2 |
Product Overview
1-Benzyl-1H-tetrazole-5-thiol (CAS 33898-72-5), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: 1-benzyl-2H-tetrazole-5-thione.
Chemical Property Profile of 1-Benzyl-1H-tetrazole-5-thiol
Property Insights of 1-Benzyl-1H-tetrazole-5-thiol
The XLogP value of 1.38399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-1H-tetrazole-5-thiol. With a topological polar surface area (TPSA) of 46.5 Ų, 1-Benzyl-1H-tetrazole-5-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-1H-tetrazole-5-thiol 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-Benzyl-1H-tetrazole-5-thiol?
The CAS number of 1-Benzyl-1H-tetrazole-5-thiol is 33898-72-5.
What is the molecular formula of 1-Benzyl-1H-tetrazole-5-thiol?
The molecular formula of 1-Benzyl-1H-tetrazole-5-thiol is C8H8N4S.
What is the molecular weight of 1-Benzyl-1H-tetrazole-5-thiol?
The molecular weight of 1-Benzyl-1H-tetrazole-5-thiol is 192.05 g/mol.
Where can I buy 1-Benzyl-1H-tetrazole-5-thiol?
You can request a quote for 1-Benzyl-1H-tetrazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-1H-tetrazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-1H-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.