5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl-
TL;DR: 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl- (CAS 1455-91-0) 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-methyl-4-phenyltetrazole-5-thione
Also Known As: 1-methyl-4-phenyltetrazole-5-thione, 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl-, 1-methyl-4-phenyl-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione, 1-Methyl-4-phenyl-1,4-dihydro-5H-tetrazole-5-thione, 1-phenyl-4-methyl-1,4-dihydro-5H-tetrazol-5-thione
| Molecular Formula | C8H8N4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 1455-91-0 |
|---|---|
| SMILES | CN1C(=S)N(N=N1)C2=CC=CC=C2 |
| InChIKey | BEVPUUUCHKGPEB-UHFFFAOYSA-N |
Product Overview
5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl- (CAS 1455-91-0), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: 1-methyl-4-phenyltetrazole-5-thione.
Chemical Property Profile of 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl-
Property Insights of 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl-. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl-. Following Lipinski's Rule of Five, 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl- has 0 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 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl-?
The CAS number of 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl- is 1455-91-0.
What is the molecular formula of 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl-?
The molecular formula of 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl- is C8H8N4S.
What is the molecular weight of 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl-?
The molecular weight of 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl- is 192.05 g/mol.
Where can I buy 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl-?
You can request a quote for 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 5H-Tetrazole-5-thione, 1,4-dihydro-1-methyl-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.