2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide
TL;DR: 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide (CAS 300809-10-3) is a chemical compound with molecular formula C9H8Cl2N4S and molecular weight 273.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,6-dichlorophenyl)methylsulfanyl]-1-methyltetrazole
Also Known As: 5-((2,6-Dichlorobenzyl)thio)-1-methyl-1H-tetrazole, 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide, 5-[(2,6-dichlorophenyl)methylsulfanyl]-1-methyltetrazole, AI-204/31688032, 5-[(2,6-dichlorobenzyl)sulfanyl]-1-methyl-1H-tetrazole
| Molecular Formula | C9H8Cl2N4S |
|---|---|
| Molecular Weight | 273.98 g/mol |
| LogP | 2.8092 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.98468 |
| Heavy Atoms | 16 |
| Complexity | 479.75424 |
Chemical Identifiers
| CAS Number | 300809-10-3 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(C=CC=C2Cl)Cl |
Product Overview
2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide (CAS 300809-10-3), with molecular formula C9H8Cl2N4S and molecular weight 273.98 g/mol. IUPAC: 5-[(2,6-dichlorophenyl)methylsulfanyl]-1-methyltetrazole.
Chemical Property Profile of 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide
Property Insights of 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide
The XLogP value of 2.8092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide. With a topological polar surface area (TPSA) of 43.6 Ų, 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide 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 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide?
The CAS number of 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide is 300809-10-3.
What is the molecular formula of 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide?
The molecular formula of 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide is C9H8Cl2N4S.
What is the molecular weight of 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide?
The molecular weight of 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide is 273.98 g/mol.
Where can I buy 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide?
You can request a quote for 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-dichlorobenzyl 1-methyl-1H-tetraazol-5-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.