1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione
TL;DR: 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione (CAS 22347-28-0) is a chemical compound with molecular formula C7H5ClN4S and molecular weight 211.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-2H-tetrazole-5-thione
Also Known As: 1-(2-Chlorophenyl)-1H-tetrazole-5-thiol, 1-(2-chlorophenyl)-2H-tetrazole-5-thione, 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione, 1-(2-Chlorophenyl)-1,4-dihydro-5H-tetrazole-5-thione, RefChem:223361
| Molecular Formula | C7H5ClN4S |
|---|---|
| Molecular Weight | 211.99 g/mol |
| LogP | 1.97829 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.99234 |
| Heavy Atoms | 13 |
| Complexity | 475.09482 |
Chemical Identifiers
| CAS Number | 22347-28-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=S)N=NN2)Cl |
Product Overview
1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione (CAS 22347-28-0), with molecular formula C7H5ClN4S and molecular weight 211.99 g/mol. IUPAC: 1-(2-chlorophenyl)-2H-tetrazole-5-thione.
Chemical Property Profile of 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione
Property Insights of 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione
The XLogP value of 1.97829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione. With a topological polar surface area (TPSA) of 46.5 Ų, 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione 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-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione?
The CAS number of 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione is 22347-28-0.
What is the molecular formula of 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione?
The molecular formula of 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione is C7H5ClN4S.
What is the molecular weight of 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione?
The molecular weight of 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione is 211.99 g/mol.
Where can I buy 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione?
You can request a quote for 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.