1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole
TL;DR: 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole (CAS 51618-40-7) is a chemical compound with molecular formula C9H10N4S2 and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-[(4-methylphenyl)disulfanyl]tetrazole
Also Known As: 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole, 1-methyl-5-(p-tolyldisulfanyl)tetrazole, 1-methyl-5-[(4-methylphenyl)disulfanyl]tetrazole, 1-Methyl-5-[(4-methylphenyl)disulfanyl]-1H-tetrazole, 1H-TETRAZOLE, 1-METHYL-5-((4-METHYLPHENYL)DITHIO)-
| Molecular Formula | C9H10N4S2 |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.03468 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 51618-40-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SSC2=NN=NN2C |
| InChIKey | SPGVBTSNMKDMSL-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole (CAS 51618-40-7), with molecular formula C9H10N4S2 and molecular weight 238.03 g/mol. IUPAC: 1-methyl-5-[(4-methylphenyl)disulfanyl]tetrazole.
Chemical Property Profile of 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole
Property Insights of 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole. Following Lipinski's Rule of Five, 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole has 0 hydrogen bond donor(s) and 5 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-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole?
The CAS number of 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole is 51618-40-7.
What is the molecular formula of 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole?
The molecular formula of 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole is C9H10N4S2.
What is the molecular weight of 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole?
The molecular weight of 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole is 238.03 g/mol.
Where can I buy 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole?
You can request a quote for 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.