5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole
TL;DR: 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole (CAS 94201-87-3) is a chemical compound with molecular formula C8H7N5O2S and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanyl-1-(4-nitrophenyl)tetrazole
Also Known As: 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole, EINECS 303-677-3, 5-methylsulfanyl-1-(4-nitrophenyl)tetrazole, 5-(Methylthio)-1-(4-nitrophenyl)-1H-tetrazole, 5-METHYLTHIO-1-(4-NITROPHENYL)TETRAZOLE
| Molecular Formula | C8H7N5O2S |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 1.2924 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.03204 |
| Heavy Atoms | 16 |
| Complexity | 509.40216 |
Chemical Identifiers
| CAS Number | 94201-87-3 |
|---|---|
| SMILES | CSC1=NN=NN1C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole (CAS 94201-87-3), with molecular formula C8H7N5O2S and molecular weight 237.03 g/mol. IUPAC: 5-methylsulfanyl-1-(4-nitrophenyl)tetrazole.
Chemical Property Profile of 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole
Property Insights of 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole
The XLogP value of 1.2924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole. Following Lipinski's Rule of Five, 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole has 0 hydrogen bond donor(s) and 6 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 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole?
The CAS number of 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole is 94201-87-3.
What is the molecular formula of 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole?
The molecular formula of 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole is C8H7N5O2S.
What is the molecular weight of 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole?
The molecular weight of 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole is 237.03 g/mol.
Where can I buy 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole?
You can request a quote for 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methylthio)-1-(p-nitrophenyl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.