3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole
TL;DR: 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole (CAS 122606-06-8) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1-(phenylsulfanylmethyl)pyrazole
Also Known As: 3,5-dimethyl-1-(phenylsulfanylmethyl)pyrazole, 1-(phenylthio)methyl-3,5-dimethyl-1H-pyrazole, J2.874.306H, 1-[(Phenylthio)methyl]-3,5-dimethyl-1H-pyrazole, 3,5-dimethyl-1-[(phenylsulfanyl)methyl]-1H-pyrazole
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 3.24974 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 434.1377 |
Chemical Identifiers
| CAS Number | 122606-06-8 |
|---|---|
| SMILES | CC1=CC(=NN1CSC2=CC=CC=C2)C |
Product Overview
3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole (CAS 122606-06-8), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: 3,5-dimethyl-1-(phenylsulfanylmethyl)pyrazole.
Chemical Property Profile of 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole
Property Insights of 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole
The XLogP value of 3.24974 indicates that 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole has 0 hydrogen bond donor(s) and 2 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 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole?
The CAS number of 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole is 122606-06-8.
What is the molecular formula of 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole?
The molecular formula of 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole is C12H14N2S.
What is the molecular weight of 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole?
The molecular weight of 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole is 218.09 g/mol.
Where can I buy 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole?
You can request a quote for 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1-(phenylsulfanylmethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.