1-(3-chlorophenyl)-1H-tetrazole-5-thiol
TL;DR: 1-(3-chlorophenyl)-1H-tetrazole-5-thiol (CAS 22384-88-9) 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-(3-chlorophenyl)-2H-tetrazole-5-thione
Also Known As: 1-(3-chlorophenyl)-1H-tetrazole-5-thiol, 1-(3-chlorophenyl)-1H-1,2,3,4-tetrazole-5-thiol, 1-(3-chlorophenyl)-2H-tetrazole-5-thione, 1-(3-chlorophenyl)-1H-tetraazole-5-thiol, 1-(3-chlorophenyl)-1,2,3,4-tetraazole-5-thiol
| Molecular Formula | C7H5ClN4S |
|---|---|
| Molecular Weight | 211.99 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.99234 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 22384-88-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C(=S)N=NN2 |
| InChIKey | UNIAYRLZLPUWAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-chlorophenyl)-1H-tetrazole-5-thiol (CAS 22384-88-9), with molecular formula C7H5ClN4S and molecular weight 211.99 g/mol. IUPAC: 1-(3-chlorophenyl)-2H-tetrazole-5-thione.
Chemical Property Profile of 1-(3-chlorophenyl)-1H-tetrazole-5-thiol
Property Insights of 1-(3-chlorophenyl)-1H-tetrazole-5-thiol
The XLogP value of 3.4 indicates that 1-(3-chlorophenyl)-1H-tetrazole-5-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chlorophenyl)-1H-tetrazole-5-thiol. Following Lipinski's Rule of Five, 1-(3-chlorophenyl)-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-(3-chlorophenyl)-1H-tetrazole-5-thiol?
The CAS number of 1-(3-chlorophenyl)-1H-tetrazole-5-thiol is 22384-88-9.
What is the molecular formula of 1-(3-chlorophenyl)-1H-tetrazole-5-thiol?
The molecular formula of 1-(3-chlorophenyl)-1H-tetrazole-5-thiol is C7H5ClN4S.
What is the molecular weight of 1-(3-chlorophenyl)-1H-tetrazole-5-thiol?
The molecular weight of 1-(3-chlorophenyl)-1H-tetrazole-5-thiol is 211.99 g/mol.
Where can I buy 1-(3-chlorophenyl)-1H-tetrazole-5-thiol?
You can request a quote for 1-(3-chlorophenyl)-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-(3-chlorophenyl)-1H-tetrazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chlorophenyl)-1H-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.