1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-
TL;DR: 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)- (CAS 18527-35-0) is a chemical compound with molecular formula C8H7ClN4S and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chlorophenyl)sulfanylmethyl]-2H-tetrazole
Also Known As: 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-, 5-(3-Chlorophenylthiomethyl)tetrazole, 5-[(3-chlorophenyl)sulfanylmethyl]-2H-tetrazole, 5-(M-CHLOROPHENYLTHIOMETHYL) TETRAZOLE, 5-[(m-Chlorophenylthio)methyl]-1H-tetrazole
| Molecular Formula | C8H7ClN4S |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.008 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 18527-35-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)SCC2=NNN=N2 |
| InChIKey | QXHAUJZTOFQRPP-UHFFFAOYSA-N |
Product Overview
1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)- (CAS 18527-35-0), with molecular formula C8H7ClN4S and molecular weight 226.01 g/mol. IUPAC: 5-[(3-chlorophenyl)sulfanylmethyl]-2H-tetrazole.
Chemical Property Profile of 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-
Property Insights of 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-. Following Lipinski's Rule of Five, 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)- has 1 hydrogen bond donor(s) and 4 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 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-?
The CAS number of 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)- is 18527-35-0.
What is the molecular formula of 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-?
The molecular formula of 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)- is C8H7ClN4S.
What is the molecular weight of 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-?
The molecular weight of 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)- is 226.01 g/mol.
Where can I buy 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-?
You can request a quote for 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Tetrazole, 5-(((m-chlorophenyl)thio)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.