ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide
TL;DR: ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide (CAS 321998-90-7) is a chemical compound with molecular formula C8H14N2S2 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(ethylsulfanyl)methyl]-1H-pyrazole
Also Known As: 3-[bis(ethylsulfanyl)methyl]-1H-pyrazole, 5-[bis(ethylsulfanyl)methyl]-1H-pyrazole, ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide, 9B-053
| Molecular Formula | C8H14N2S2 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.9145 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 202.05984 |
| Heavy Atoms | 12 |
| Complexity | 192.8326 |
Chemical Identifiers
| CAS Number | 321998-90-7 |
|---|---|
| SMILES | CCSC(C1=CC=NN1)SCC |
Product Overview
ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide (CAS 321998-90-7), with molecular formula C8H14N2S2 and molecular weight 202.06 g/mol. IUPAC: 5-[bis(ethylsulfanyl)methyl]-1H-pyrazole.
Chemical Property Profile of ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide
Property Insights of ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide
The XLogP value of 2.9145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide. With a topological polar surface area (TPSA) of 28.68 Ų, ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide has 1 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 ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide?
The CAS number of ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide is 321998-90-7.
What is the molecular formula of ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide?
The molecular formula of ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide is C8H14N2S2.
What is the molecular weight of ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide?
The molecular weight of ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide is 202.06 g/mol.
Where can I buy ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide?
You can request a quote for ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for ethyl (ethylsulfanyl)(1H-pyrazol-3-yl)methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.