5-(benzylsulfanyl)-1-methyl-1H-tetrazole
TL;DR: 5-(benzylsulfanyl)-1-methyl-1H-tetrazole (CAS 56610-79-8) is a chemical compound with molecular formula C9H10N4S and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-1-methyltetrazole
Also Known As: 5-(benzylsulfanyl)-1-methyl-1H-tetrazole, 5-benzylsulfanyl-1-methyltetrazole, 1-Methyl-5-(benzylthio)-1H-tetrazole, 1-Methyl-5-[(phenylmethyl)thio]-1H-tetrazole, 1H-Tetrazole, 1-methyl-5-[(phenylmethyl)thio]-
| Molecular Formula | C9H10N4S |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.5024 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.06262 |
| Heavy Atoms | 14 |
| Complexity | 398.204 |
Chemical Identifiers
| CAS Number | 56610-79-8 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=CC=CC=C2 |
Product Overview
5-(benzylsulfanyl)-1-methyl-1H-tetrazole (CAS 56610-79-8), with molecular formula C9H10N4S and molecular weight 206.06 g/mol. IUPAC: 5-benzylsulfanyl-1-methyltetrazole.
Chemical Property Profile of 5-(benzylsulfanyl)-1-methyl-1H-tetrazole
Property Insights of 5-(benzylsulfanyl)-1-methyl-1H-tetrazole
The XLogP value of 1.5024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(benzylsulfanyl)-1-methyl-1H-tetrazole. With a topological polar surface area (TPSA) of 43.6 Ų, 5-(benzylsulfanyl)-1-methyl-1H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(benzylsulfanyl)-1-methyl-1H-tetrazole has 0 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 5-(benzylsulfanyl)-1-methyl-1H-tetrazole?
The CAS number of 5-(benzylsulfanyl)-1-methyl-1H-tetrazole is 56610-79-8.
What is the molecular formula of 5-(benzylsulfanyl)-1-methyl-1H-tetrazole?
The molecular formula of 5-(benzylsulfanyl)-1-methyl-1H-tetrazole is C9H10N4S.
What is the molecular weight of 5-(benzylsulfanyl)-1-methyl-1H-tetrazole?
The molecular weight of 5-(benzylsulfanyl)-1-methyl-1H-tetrazole is 206.06 g/mol.
Where can I buy 5-(benzylsulfanyl)-1-methyl-1H-tetrazole?
You can request a quote for 5-(benzylsulfanyl)-1-methyl-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-(benzylsulfanyl)-1-methyl-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylsulfanyl)-1-methyl-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.